The text file is also avilable here
H:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
1
0
2
3
5.4471780 0.8245472 0.1831916
0.1562850 0.0000000
0.9046910 0.0000000
0.0000000 1.0000000
HE:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
1
0
2
3
13.6267000 1.9993500 0.3829930
0.1752300 0.0000000
0.8934830 0.0000000
0.0000000 1.0000000
LI:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
36.8382000 5.4817200 1.1132700 0.5402050 0.1022550
0.0285645
0.0696686 0.0000000 0.0000000
0.3813460 0.0000000 0.0000000
0.6817020 0.0000000 0.0000000
0.0000000 -0.2631270 0.0000000
0.0000000 1.1433900 0.0000000
0.0000000 0.0000000 1.0000000
0.5402050 0.1022550 0.0285645
0.1615460 0.0000000
0.9156630 0.0000000
0.0000000 1.0000000
BE:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
71.8876000 10.7289000 2.2220500 1.2954800 0.2688810
0.0773501
0.0644263 0.0000000 0.0000000
0.3660960 0.0000000 0.0000000
0.6959340 0.0000000 0.0000000
0.0000000 -0.4210640 0.0000000
0.0000000 1.2240700 0.0000000
0.0000000 0.0000000 1.0000000
1.2954800 0.2688810 0.0773501
0.2051320 0.0000000
0.8825280 0.0000000
0.0000000 1.0000000
B:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
116.4340000 17.4314000 3.6801600 2.2818700 0.4652480
0.1243280
0.0629605 0.0000000 0.0000000
0.3633040 0.0000000 0.0000000
0.6972550 0.0000000 0.0000000
0.0000000 -0.3686620 0.0000000
0.0000000 1.1994400 0.0000000
0.0000000 0.0000000 1.0000000
2.2818700 0.4652480 0.1243280
0.2311520 0.0000000
0.8667640 0.0000000
0.0000000 1.0000000
C:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
172.2560000 25.9109000 5.5333500 3.6649800 0.7705450
0.1958570
0.0617669 0.0000000 0.0000000
0.3587940 0.0000000 0.0000000
0.7007130 0.0000000 0.0000000
0.0000000 -0.3958970 0.0000000
0.0000000 1.2158400 0.0000000
0.0000000 0.0000000 1.0000000
3.6649800 0.7705450 0.1958570
0.2364600 0.0000000
0.8606190 0.0000000
0.0000000 1.0000000
N:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
242.7660000 36.4851000 7.8144900 5.4252200 1.1491500
0.2832050
0.0598657 0.0000000 0.0000000
0.3529550 0.0000000 0.0000000
0.7065130 0.0000000 0.0000000
0.0000000 -0.4133010 0.0000000
0.0000000 1.2244200 0.0000000
0.0000000 0.0000000 1.0000000
5.4252200 1.1491500 0.2832050
0.2379720 0.0000000
0.8589530 0.0000000
0.0000000 1.0000000
O:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
322.0370000 48.4308000 10.4206000 7.4029400 1.5762000
0.3736840
0.0592394 0.0000000 0.0000000
0.3515000 0.0000000 0.0000000
0.7076580 0.0000000 0.0000000
0.0000000 -0.4044530 0.0000000
0.0000000 1.2215600 0.0000000
0.0000000 0.0000000 1.0000000
7.4029400 1.5762000 0.3736840
0.2445860 0.0000000
0.8539550 0.0000000
0.0000000 1.0000000
F:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
413.8010000 62.2446000 13.4340000 9.7775900 2.0861700
0.4823830
0.0585483 0.0000000 0.0000000
0.3493080 0.0000000 0.0000000
0.7096320 0.0000000 0.0000000
0.0000000 -0.4073270 0.0000000
0.0000000 1.2231400 0.0000000
0.0000000 0.0000000 1.0000000
9.7775900 2.0861700 0.4823830
0.2466800 0.0000000
0.8523210 0.0000000
0.0000000 1.0000000
NE:3-21G
SOSA 3-21G BASIS FROM GAUSSIAN-82
2
0 1
3 2
6 3
515.7240000 77.6538000 16.8136000 12.4830000 2.6645100
0.6062500
0.0581430 0.0000000 0.0000000
0.3479510 0.0000000 0.0000000
0.7107140 0.0000000 0.0000000
0.0000000 -0.4099220 0.0000000
0.0000000 1.2243100 0.0000000
0.0000000 0.0000000 1.0000000
12.4830000 2.6645100 0.6062500
0.2474600 0.0000000
0.8517430 0.0000000
0.0000000 1.0000000
NA:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
4 3
9 6
547.6130000 82.0678000 17.6917000 17.5407000 3.7939800
0.9064410 0.5018240 0.0609458 0.0244349
0.0674911 0.0000000 0.0000000 0.0000000
0.3935050 0.0000000 0.0000000 0.0000000
0.6656050 0.0000000 0.0000000 0.0000000
0.0000000 -0.1119370 0.0000000 0.0000000
0.0000000 0.2546540 0.0000000 0.0000000
0.0000000 0.8444170 0.0000000 0.0000000
0.0000000 0.0000000 -0.2196600 0.0000000
0.0000000 0.0000000 1.0891200 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
17.5407000 3.7939800 0.9064410 0.5018240 0.0609458
0.0244349
0.1282330 0.0000000 0.0000000
0.4715330 0.0000000 0.0000000
0.6042730 0.0000000 0.0000000
0.0000000 0.0090665 0.0000000
0.0000000 0.9972020 0.0000000
0.0000000 0.0000000 1.0000000
MG:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
4 3
9 6
652.8410000 98.3805000 21.2996000 23.3727000 5.1995300
1.3150800 0.6113490 0.1418410 0.0464011
0.0675982 0.0000000 0.0000000 0.0000000
0.3917780 0.0000000 0.0000000 0.0000000
0.6666610 0.0000000 0.0000000 0.0000000
0.0000000 -0.1102460 0.0000000 0.0000000
0.0000000 0.1841190 0.0000000 0.0000000
0.0000000 0.8963990 0.0000000 0.0000000
0.0000000 0.0000000 -0.3611010 0.0000000
0.0000000 0.0000000 1.2150500 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
23.3727000 5.1995300 1.3150800 0.6113490 0.1418410
0.0464011
0.1210140 0.0000000 0.0000000
0.4628100 0.0000000 0.0000000
0.6069070 0.0000000 0.0000000
0.0000000 0.0242633 0.0000000
0.0000000 0.9866730 0.0000000
0.0000000 0.0000000 1.0000000
AL:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
4 3
9 6
775.7370000 116.9520000 25.3326000 29.4796000 6.6331400
1.7267500 0.9461600 0.2025060 0.0639088
0.0668347 0.0000000 0.0000000 0.0000000
0.3890610 0.0000000 0.0000000 0.0000000
0.6694680 0.0000000 0.0000000 0.0000000
0.0000000 -0.1079020 0.0000000 0.0000000
0.0000000 0.1462450 0.0000000 0.0000000
0.0000000 0.9237300 0.0000000 0.0000000
0.0000000 0.0000000 -0.3203270 0.0000000
0.0000000 0.0000000 1.1841200 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
29.4796000 6.6331400 1.7267500 0.9461600 0.2025060
0.0639088
0.1175740 0.0000000 0.0000000
0.4611740 0.0000000 0.0000000
0.6055350 0.0000000 0.0000000
0.0000000 0.0519383 0.0000000
0.0000000 0.9726600 0.0000000
0.0000000 0.0000000 1.0000000
SI:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
4 3
9 6
910.6550000 137.3360000 29.7601000 36.6716000 8.3172900
2.2164500 1.0791300 0.3024220 0.0933392
0.0660823 0.0000000 0.0000000 0.0000000
0.3862290 0.0000000 0.0000000 0.0000000
0.6723800 0.0000000 0.0000000 0.0000000
0.0000000 -0.1045110 0.0000000 0.0000000
0.0000000 0.1074100 0.0000000 0.0000000
0.0000000 0.9514460 0.0000000 0.0000000
0.0000000 0.0000000 -0.3761080 0.0000000
0.0000000 0.0000000 1.2516500 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
36.6716000 8.3172900 2.2164500 1.0791300 0.3024220
0.0933392
0.1133550 0.0000000 0.0000000
0.4575780 0.0000000 0.0000000
0.6074270 0.0000000 0.0000000
0.0000000 0.0671030 0.0000000
0.0000000 0.9568830 0.0000000
0.0000000 0.0000000 1.0000000
P:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
4 3
9 6
1054.9000000 159.1950000 34.5304000 44.2866000 10.1019000
2.7399700 1.2186500 0.3955460 0.1228110
0.0655407 0.0000000 0.0000000 0.0000000
0.3840360 0.0000000 0.0000000 0.0000000
0.6745410 0.0000000 0.0000000 0.0000000
0.0000000 -0.1021300 0.0000000 0.0000000
0.0000000 0.0815922 0.0000000 0.0000000
0.0000000 0.9697880 0.0000000 0.0000000
0.0000000 0.0000000 -0.3714950 0.0000000
0.0000000 0.0000000 1.2709900 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.2866000 10.1019000 2.7399700 1.2186500 0.3955460
0.1228110
0.1108510 0.0000000 0.0000000
0.4564950 0.0000000 0.0000000
0.6069360 0.0000000 0.0000000
0.0000000 0.0915823 0.0000000
0.0000000 0.9349240 0.0000000
0.0000000 0.0000000 1.0000000
S:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
4 3
9 6
1210.6200000 182.7470000 39.6673000 52.2236000 11.9629000
3.2891100 1.2238400 0.4573030 0.1422690
0.0650071 0.0000000 0.0000000 0.0000000
0.3820400 0.0000000 0.0000000 0.0000000
0.6765450 0.0000000 0.0000000 0.0000000
0.0000000 -0.1003100 0.0000000 0.0000000
0.0000000 0.0650877 0.0000000 0.0000000
0.0000000 0.9814550 0.0000000 0.0000000
0.0000000 0.0000000 -0.2860890 0.0000000
0.0000000 0.0000000 1.2280600 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
52.2236000 11.9629000 3.2891100 1.2238400 0.4573030
0.1422690
0.1096460 0.0000000 0.0000000
0.4576490 0.0000000 0.0000000
0.6042610 0.0000000 0.0000000
0.0000000 0.1647770 0.0000000
0.0000000 0.8708550 0.0000000
0.0000000 0.0000000 1.0000000
CL:3-21G
SOSA3-21G BASIS FROM GAUSSIAN-82
2
0 1
4 3
9 6
1376.4000000 207.8570000 45.1554000 60.8014000 13.9765000
3.8871000 1.3529900 0.5269550 0.1667140
0.0645827 0.0000000 0.0000000 0.0000000
0.3803630 0.0000000 0.0000000 0.0000000
0.6781900 0.0000000 0.0000000 0.0000000
0.0000000 -0.0987639 0.0000000 0.0000000
0.0000000 0.0511338 0.0000000 0.0000000
0.0000000 0.9913370 0.0000000 0.0000000
0.0000000 0.0000000 -0.2224010 0.0000000
0.0000000 0.0000000 1.1825200 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
60.8014000 13.9765000 3.8871000 1.3529900 0.5269550
0.1667140
0.1085980 0.0000000 0.0000000
0.4586820 0.0000000 0.0000000
0.6019620 0.0000000 0.0000000
0.0000000 0.2192160 0.0000000
0.0000000 0.8223210 0.0000000
0.0000000 0.0000000 1.0000000
H:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
1
0
2
4
18.7311370 2.8253944 0.6401217 0.1612778
0.0334946 0.0000000
0.2347270 0.0000000
0.8137573 0.0000000
0.0000000 1.0000000
HE:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
1
0
2
4
38.4216340 5.7780300 1.2417740 0.2979640
0.0237660 0.0000000
0.1546790 0.0000000
0.4696300 0.0000000
0.0000000 1.0000000
LI:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 3
275.3944440 41.4351754 9.3669938 2.5377253 0.7466365
0.7345643 0.0871980 0.0404387
0.0061218 0.0000000 0.0000000
0.0451130 0.0000000 0.0000000
0.1926942 0.0000000 0.0000000
0.4685442 0.0000000 0.0000000
0.4406075 0.0000000 0.0000000
0.0000000 -0.2525368 0.0000000
0.0000000 1.0973408 0.0000000
0.0000000 0.0000000 1.0000000
0.7345643 0.0871980 0.0404387
0.1435917 0.0000000
0.9478031 0.0000000
0.0000000 1.0000000
BE:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 3
554.0100000 83.2631000 18.8635000 5.1778200 1.5560200
1.4417525 0.3018611 0.1009614
0.0054100 0.0000000 0.0000000
0.0402515 0.0000000 0.0000000
0.1768580 0.0000000 0.0000000
0.4525590 0.0000000 0.0000000
0.4702930 0.0000000 0.0000000
0.0000000 -0.4774290 0.0000000
0.0000000 1.2474500 0.0000000
0.0000000 0.0000000 1.0000000
1.4417525 0.3018611 0.1009614
0.2011420 0.0000000
0.8844830 0.0000000
0.0000000 1.0000000
B:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 4
330.7528520 49.8438650 11.1170535 2.9227243 5.6812646
1.4544046 0.4283786 0.1442192
0.0179942 0.0000000 0.0000000
0.1246937 0.0000000 0.0000000
0.4343354 0.0000000 0.0000000
0.5609794 0.0000000 0.0000000
0.0000000 -0.1303871 0.0000000
0.0000000 -0.2514344 0.0000000
0.0000000 1.2051292 0.0000000
0.0000000 0.0000000 1.0000000
5.6812646 1.4544046 0.4283786 0.1442192
0.0637429 0.0000000
0.2761331 0.0000000
0.7773866 0.0000000
0.0000000 1.0000000
C:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 4
486.9669280 73.3710942 16.4134579 4.3449836 8.6735253
2.0966193 0.6046513 0.1835578
0.0177258 0.0000000 0.0000000
0.1234779 0.0000000 0.0000000
0.4338754 0.0000000 0.0000000
0.5615042 0.0000000 0.0000000
0.0000000 -0.1213837 0.0000000
0.0000000 -0.2273385 0.0000000
0.0000000 1.1851739 0.0000000
0.0000000 0.0000000 1.0000000
8.6735253 2.0966193 0.6046513 0.1835578
0.0635454 0.0000000
0.2982678 0.0000000
0.7621032 0.0000000
0.0000000 1.0000000
N:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 4
671.2795030 101.2016620 22.6999659 6.0406090 12.3935997
2.9223828 0.8325281 0.2259642
0.0175983 0.0000000 0.0000000
0.1228462 0.0000000 0.0000000
0.4337821 0.0000000 0.0000000
0.5614182 0.0000000 0.0000000
0.0000000 -0.1174893 0.0000000
0.0000000 -0.2139940 0.0000000
0.0000000 1.1745021 0.0000000
0.0000000 0.0000000 1.0000000
12.3935997 2.9223828 0.8325281 0.2259642
0.0640203 0.0000000
0.3112026 0.0000000
0.7527482 0.0000000
0.0000000 1.0000000
O:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 4
883.2728600 133.1292800 29.9064079 7.9786772 16.1944466
3.7800860 1.0709836 0.2838798
0.0175506 0.0000000 0.0000000
0.1228292 0.0000000 0.0000000
0.4348836 0.0000000 0.0000000
0.5600108 0.0000000 0.0000000
0.0000000 -0.1134010 0.0000000
0.0000000 -0.1772865 0.0000000
0.0000000 1.1504079 0.0000000
0.0000000 0.0000000 1.0000000
16.1944466 3.7800860 1.0709836 0.2838798
0.0685453 0.0000000
0.3312254 0.0000000
0.7346079 0.0000000
0.0000000 1.0000000
F:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 4
1126.1626900 169.7431570 38.1815112 10.2120359 21.4953667
4.9897776 1.4035739 0.3730318
0.0174758 0.0000000 0.0000000
0.1225231 0.0000000 0.0000000
0.4349985 0.0000000 0.0000000
0.5598122 0.0000000 0.0000000
0.0000000 -0.1110571 0.0000000
0.0000000 -0.1683221 0.0000000
0.0000000 1.1436256 0.0000000
0.0000000 0.0000000 1.0000000
21.4953667 4.9897776 1.4035739 0.3730318
0.0698888 0.0000000
0.3393875 0.0000000
0.7279590 0.0000000
0.0000000 1.0000000
NE:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
8 4
1397.9320800 210.7697810 47.4672569 12.7226263 27.2130332
6.2941344 1.7600513 0.4618670
0.0174238 0.0000000 0.0000000
0.1222727 0.0000000 0.0000000
0.4350142 0.0000000 0.0000000
0.5597146 0.0000000 0.0000000
0.0000000 -0.1096094 0.0000000
0.0000000 -0.1641249 0.0000000
0.0000000 1.1401516 0.0000000
0.0000000 0.0000000 1.0000000
27.2130332 6.2941344 1.7600513 0.4618670
0.0704403 0.0000000
0.3439930 0.0000000
0.7245150 0.0000000
0.0000000 1.0000000
P:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
4 8 8
3018.6717800 455.1271210 102.3147300 27.6178473
0.0185213
0.1299049
0.4551003
0.5331319
114.4294010 26.5822959 7.8718889 2.4878573 48.7408945
1.6066171 0.5965020 0.1737635
-0.0247503 0.0000000 0.0000000
-0.1350925 0.0000000 0.0000000
0.2277361 0.0000000 0.0000000
0.8755931 0.0000000 0.0000000
0.0000000 -0.0451192 0.0000000
0.0000000 -0.8504730 0.0000000
0.0000000 1.5962859 0.0000000
0.0000000 0.0000000 1.0000000
114.4294010 26.5822959 7.8718889 2.4878573 48.7408945
1.6066171 0.5965020 0.1737635
0.0274140 0.0000000 0.0000000
0.1690791 0.0000000 0.0000000
0.4691021 0.0000000 0.0000000
0.5181531 0.0000000 0.0000000
0.0000000 0.0037791 0.0000000
0.0000000 -0.0463438 0.0000000
0.0000000 1.0339443 0.0000000
0.0000000 0.0000000 1.0000000
S:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
4 8 8
3442.1244100 518.9131000 116.6909030 31.5716472
0.0184921
0.1298220
0.4550418
0.5330084
127.4405760 29.7476673 8.8346643 2.8173898 3.5815096
1.3510621 0.5264048 0.1738056
-0.0272646 0.0000000 0.0000000
-0.1424834 0.0000000 0.0000000
0.2597044 0.0000000 0.0000000
0.8525473 0.0000000 0.0000000
0.0000000 -0.2775315 0.0000000
0.0000000 -0.4576435 0.0000000
0.0000000 1.4316843 0.0000000
0.0000000 0.0000000 1.0000000
127.4405760 29.7476673 8.8346643 2.8173898 3.5815096
1.3510621 0.5264048 0.1738056
0.0291520 0.0000000 0.0000000
0.1779597 0.0000000 0.0000000
0.4836237 0.0000000 0.0000000
0.4942553 0.0000000 0.0000000
0.0000000 -0.0337509 0.0000000
0.0000000 0.1457110 0.0000000
0.0000000 0.8982887 0.0000000
0.0000000 0.0000000 1.0000000
CL:4-31G
SOSA4-31G BASIS FROM GAUSSIAN-82
3
0 1 1
1 3 3
4 8 8
3910.3026900 589.5518070 132.5939240 35.9035425
0.0183794
0.1291401
0.4540449
0.5344394
147.7653530 34.5060753 10.2864715 3.3111474 4.2802849
1.6410167 0.6144785 0.1995922
-0.0267433 0.0000000 0.0000000
-0.1446912 0.0000000 0.0000000
0.2517036 0.0000000 0.0000000
0.8598204 0.0000000 0.0000000
0.0000000 -0.2703963 0.0000000
0.0000000 -0.3416297 0.0000000
0.0000000 1.3500245 0.0000000
0.0000000 0.0000000 1.0000000
147.7653530 34.5060753 10.2864715 3.3111474 4.2802849
1.6410167 0.6144785 0.1995922
0.0288645 0.0000000 0.0000000
0.1779647 0.0000000 0.0000000
0.4869998 0.0000000 0.0000000
0.4890185 0.0000000 0.0000000
0.0000000 -0.0367029 0.0000000
0.0000000 0.1918492 0.0000000
0.0000000 0.8643377 0.0000000
0.0000000 0.0000000 1.0000000
H:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
1
0
2
4
18.7311370 2.8253944 0.6401217 0.1612778
0.0334946 0.0000000
0.2347270 0.0000000
0.8137573 0.0000000
0.0000000 1.0000000
HE:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
1
0
2
4
38.4216340 5.7780300 1.2417740 0.2979640
0.0237660 0.0000000
0.1546790 0.0000000
0.4696300 0.0000000
0.0000000 1.0000000
LI:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
642.4189150 96.7985153 22.0911212 6.2010702 1.9351177
0.6367358 2.3249184 0.6324304 0.0790534 0.0359620
0.0021426 0.0000000 0.0000000
0.0162089 0.0000000 0.0000000
0.0773156 0.0000000 0.0000000
0.2457861 0.0000000 0.0000000
0.4701890 0.0000000 0.0000000
0.3454708 0.0000000 0.0000000
0.0000000 -0.0350917 0.0000000
0.0000000 -0.1912328 0.0000000
0.0000000 1.0839878 0.0000000
0.0000000 0.0000000 1.0000000
2.3249184 0.6324304 0.0790534 0.0359620
0.0089415 0.0000000
0.1410095 0.0000000
0.9453637 0.0000000
0.0000000 1.0000000
BE:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
1264.5856900 189.9368060 43.1590890 12.0986627 3.8063232
1.2728903 3.1964631 0.7478133 0.2199663 0.0823099
0.0019448 0.0000000 0.0000000
0.0148351 0.0000000 0.0000000
0.0720905 0.0000000 0.0000000
0.2371542 0.0000000 0.0000000
0.4691987 0.0000000 0.0000000
0.3565202 0.0000000 0.0000000
0.0000000 -0.1126487 0.0000000
0.0000000 -0.2295064 0.0000000
0.0000000 1.1869168 0.0000000
0.0000000 0.0000000 1.0000000
3.1964631 0.7478133 0.2199663 0.0823099
0.0559802 0.0000000
0.2615506 0.0000000
0.7939723 0.0000000
0.0000000 1.0000000
B:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
2068.8822500 310.6495700 70.6830330 19.8610803 6.2993048
2.1270270 4.7279711 1.1903377 0.3594117 0.1267512
0.0018663 0.0000000 0.0000000
0.0142515 0.0000000 0.0000000
0.0695516 0.0000000 0.0000000
0.2325729 0.0000000 0.0000000
0.4670787 0.0000000 0.0000000
0.3634314 0.0000000 0.0000000
0.0000000 -0.1303938 0.0000000
0.0000000 -0.1307890 0.0000000
0.0000000 1.1309445 0.0000000
0.0000000 0.0000000 1.0000000
4.7279711 1.1903377 0.3594117 0.1267512
0.0745976 0.0000000
0.3078467 0.0000000
0.7434568 0.0000000
0.0000000 1.0000000
C:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
3047.5248800 457.3695180 103.9486850 29.2101553 9.2866630
3.1639270 7.8682724 1.8812885 0.5442493 0.1687145
0.0018347 0.0000000 0.0000000
0.0140373 0.0000000 0.0000000
0.0688426 0.0000000 0.0000000
0.2321844 0.0000000 0.0000000
0.4679413 0.0000000 0.0000000
0.3623120 0.0000000 0.0000000
0.0000000 -0.1193324 0.0000000
0.0000000 -0.1608542 0.0000000
0.0000000 1.1434564 0.0000000
0.0000000 0.0000000 1.0000000
7.8682724 1.8812885 0.5442493 0.1687145
0.0689991 0.0000000
0.3164240 0.0000000
0.7443083 0.0000000
0.0000000 1.0000000
N:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
4173.5114600 627.4579110 142.9020930 40.2343293 12.8202129
4.3904370 11.6263619 2.7162798 0.7722184 0.2120315
0.0018348 0.0000000 0.0000000
0.0139946 0.0000000 0.0000000
0.0685866 0.0000000 0.0000000
0.2322409 0.0000000 0.0000000
0.4690699 0.0000000 0.0000000
0.3604552 0.0000000 0.0000000
0.0000000 -0.1149612 0.0000000
0.0000000 -0.1691175 0.0000000
0.0000000 1.1458519 0.0000000
0.0000000 0.0000000 1.0000000
11.6263619 2.7162798 0.7722184 0.2120315
0.0675797 0.0000000
0.3239073 0.0000000
0.7408951 0.0000000
0.0000000 1.0000000
O:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
5484.6716600 825.2349460 188.0469580 52.9645000 16.8975704
5.7996353 15.5396162 3.5999336 1.0137618 0.2700058
0.0018311 0.0000000 0.0000000
0.0139502 0.0000000 0.0000000
0.0684451 0.0000000 0.0000000
0.2327143 0.0000000 0.0000000
0.4701929 0.0000000 0.0000000
0.3585209 0.0000000 0.0000000
0.0000000 -0.1107775 0.0000000
0.0000000 -0.1480263 0.0000000
0.0000000 1.1307670 0.0000000
0.0000000 0.0000000 1.0000000
15.5396162 3.5999336 1.0137618 0.2700058
0.0708743 0.0000000
0.3397528 0.0000000
0.7271586 0.0000000
0.0000000 1.0000000
F:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
7001.7130900 1051.3660900 239.2856900 67.3974453 21.5199573
7.4031013 20.8479528 4.8083083 1.3440699 0.3581514
0.0018196 0.0000000 0.0000000
0.0139161 0.0000000 0.0000000
0.0684053 0.0000000 0.0000000
0.2331858 0.0000000 0.0000000
0.4712674 0.0000000 0.0000000
0.3566185 0.0000000 0.0000000
0.0000000 -0.1085070 0.0000000
0.0000000 -0.1464517 0.0000000
0.0000000 1.1286886 0.0000000
0.0000000 0.0000000 1.0000000
20.8479528 4.8083083 1.3440699 0.3581514
0.0716287 0.0000000
0.3459121 0.0000000
0.7224700 0.0000000
0.0000000 1.0000000
NE:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
2
0 1
3 2
10 4
8425.8515300 1268.5194000 289.6214140 81.8590040 26.2515079
9.0947205 26.5321310 6.1017550 1.6962715 0.4458187
0.0018843 0.0000000 0.0000000
0.0143369 0.0000000 0.0000000
0.0701096 0.0000000 0.0000000
0.2373733 0.0000000 0.0000000
0.4730071 0.0000000 0.0000000
0.3484012 0.0000000 0.0000000
0.0000000 -0.1071183 0.0000000
0.0000000 -0.1461638 0.0000000
0.0000000 1.1277735 0.0000000
0.0000000 0.0000000 1.0000000
26.5321310 6.1017550 1.6962715 0.4458187
0.0719096 0.0000000
0.3495134 0.0000000
0.7199405 0.0000000
0.0000000 1.0000000
NA:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
6 10 10
9993.2000000 1499.8900000 341.9510000 94.6796000 29.7345000
10.0063000
0.0019377
0.0148070
0.0727055
0.2526290
0.4932420
0.3131690
150.9630000 35.5878000 11.1683000 3.9020100 1.3817700
0.4663820 0.4979660 0.0843529 0.0666350 0.0259544
-0.0035421 0.0000000 0.0000000
-0.0439588 0.0000000 0.0000000
-0.1097520 0.0000000 0.0000000
0.1873980 0.0000000 0.0000000
0.6466990 0.0000000 0.0000000
0.3060580 0.0000000 0.0000000
0.0000000 -0.2485030 0.0000000
0.0000000 -0.1317040 0.0000000
0.0000000 1.2335200 0.0000000
0.0000000 0.0000000 1.0000000
150.9630000 35.5878000 11.1683000 3.9020100 1.3817700
0.4663820 0.4979660 0.0843529 0.0666350 0.0259544
0.0050017 0.0000000 0.0000000
0.0355109 0.0000000 0.0000000
0.1428250 0.0000000 0.0000000
0.3386200 0.0000000 0.0000000
0.4515790 0.0000000 0.0000000
0.2732710 0.0000000 0.0000000
0.0000000 -0.0230225 0.0000000
0.0000000 0.9503590 0.0000000
0.0000000 0.0598579 0.0000000
0.0000000 0.0000000 1.0000000
MG:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
6 10 10
11722.8000000 1759.9300000 400.8460000 112.8070000 35.9997000
12.1828000
0.0019778
0.0151140
0.0739108
0.2491910
0.4879280
0.3196620
189.1800000 45.2119000 14.3563000 5.1388600 1.9065200
0.7058870 0.9293400 0.2690350 0.1173790 0.0421061
-0.0032372 0.0000000 0.0000000
-0.0410079 0.0000000 0.0000000
-0.1126000 0.0000000 0.0000000
0.1486330 0.0000000 0.0000000
0.6164970 0.0000000 0.0000000
0.3648290 0.0000000 0.0000000
0.0000000 -0.2122900 0.0000000
0.0000000 -0.1079850 0.0000000
0.0000000 1.1758400 0.0000000
0.0000000 0.0000000 1.0000000
189.1800000 45.2119000 14.3563000 5.1388600 1.9065200
0.7058870 0.9293400 0.2690350 0.1173790 0.0421061
0.0049281 0.0000000 0.0000000
0.0349888 0.0000000 0.0000000
0.1407250 0.0000000 0.0000000
0.3336420 0.0000000 0.0000000
0.4449400 0.0000000 0.0000000
0.2692540 0.0000000 0.0000000
0.0000000 -0.0224192 0.0000000
0.0000000 0.1922710 0.0000000
0.0000000 0.8461810 0.0000000
0.0000000 0.0000000 1.0000000
AL:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
6 10 10
13983.1000000 2098.7500000 477.7050000 134.3600000 42.8709000
14.5189000
0.0019427
0.0148599
0.0728494
0.2468300
0.4872580
0.3234960
239.6680000 57.4419000 18.2859000 6.5991400 2.4904900
0.9445450 1.2779000 0.3975900 0.1600950 0.0556577
-0.0029262 0.0000000 0.0000000
-0.0374083 0.0000000 0.0000000
-0.1144870 0.0000000 0.0000000
0.1156350 0.0000000 0.0000000
0.6125950 0.0000000 0.0000000
0.3937990 0.0000000 0.0000000
0.0000000 -0.2276060 0.0000000
0.0000000 0.0014458 0.0000000
0.0000000 1.0927900 0.0000000
0.0000000 0.0000000 1.0000000
239.6680000 57.4419000 18.2859000 6.5991400 2.4904900
0.9445450 1.2779000 0.3975900 0.1600950 0.0556577
0.0046029 0.0000000 0.0000000
0.0331990 0.0000000 0.0000000
0.1362820 0.0000000 0.0000000
0.3304760 0.0000000 0.0000000
0.4491460 0.0000000 0.0000000
0.2657040 0.0000000 0.0000000
0.0000000 -0.0175126 0.0000000
0.0000000 0.2445330 0.0000000
0.0000000 0.8049340 0.0000000
0.0000000 0.0000000 1.0000000
SI:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
6 10 10
16115.9000000 2425.5800000 553.8670000 156.3400000 50.0683000
17.0178000
0.0019595
0.0149288
0.0728478
0.2461300
0.4859140
0.3250020
292.7180000 69.8731000 22.3363000 8.1503900 3.1345800
1.2254300 1.7273800 0.5729220 0.2221920 0.0778369
-0.0027809 0.0000000 0.0000000
-0.0357146 0.0000000 0.0000000
-0.1149850 0.0000000 0.0000000
0.0935634 0.0000000 0.0000000
0.6030170 0.0000000 0.0000000
0.4189590 0.0000000 0.0000000
0.0000000 -0.2446300 0.0000000
0.0000000 0.0043157 0.0000000
0.0000000 1.0981800 0.0000000
0.0000000 0.0000000 1.0000000
292.7180000 69.8731000 22.3363000 8.1503900 3.1345800
1.2254300 1.7273800 0.5729220 0.2221920 0.0778369
0.0044383 0.0000000 0.0000000
0.0326679 0.0000000 0.0000000
0.1347210 0.0000000 0.0000000
0.3286780 0.0000000 0.0000000
0.4496400 0.0000000 0.0000000
0.2613720 0.0000000 0.0000000
0.0000000 -0.0177951 0.0000000
0.0000000 0.2535390 0.0000000
0.0000000 0.8006690 0.0000000
0.0000000 0.0000000 1.0000000
P:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
6 10 10
19413.3000000 2909.4200000 661.3640000 185.7590000 59.1943000
20.0310000
0.0142062
0.0699995
0.2400790
0.4847620
0.3352000
339.4780000 81.0101000 25.8780000 9.4522100 3.6656600
1.4674600 2.1562300 0.7489970 0.2831450 0.0998317
-0.0027822 0.0000000 0.0000000
-0.0360499 0.0000000 0.0000000
-0.1166310 0.0000000 0.0000000
0.0968328 0.0000000 0.0000000
0.6144180 0.0000000 0.0000000
0.4037980 0.0000000 0.0000000
0.0000000 -0.2529230 0.0000000
0.0000000 0.0328517 0.0000000
0.0000000 1.0812500 0.0000000
0.0000000 0.0000000 1.0000000
339.4780000 81.0101000 25.8780000 9.4522100 3.6656600
1.4674600 2.1562300 0.7489970 0.2831450 0.0998317
0.0045646 0.0000000 0.0000000
0.0336936 0.0000000 0.0000000
0.1397550 0.0000000 0.0000000
0.3393620 0.0000000 0.0000000
0.4509210 0.0000000 0.0000000
0.2385860 0.0000000 0.0000000
0.0000000 -0.0177653 0.0000000
0.0000000 0.2740580 0.0000000
0.0000000 0.7854210 0.0000000
0.0000000 0.0000000 1.0000000
S:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
6 10 10
21917.1000000 3301.4900000 754.1460000 212.7110000 67.9896000
23.0515000
0.0018692
0.0142303
0.0696962
0.2384870
0.4833070
0.3380740
423.7350000 100.7100000 32.1599000 11.8079000 4.6311000
1.8702500 2.6158400 0.9221670 0.3412870 0.1171670
-0.0023768 0.0000000 0.0000000
-0.0316930 0.0000000 0.0000000
-0.1133170 0.0000000 0.0000000
0.0560900 0.0000000 0.0000000
0.5922550 0.0000000 0.0000000
0.4550060 0.0000000 0.0000000
0.0000000 -0.2503740 0.0000000
0.0000000 0.0669570 0.0000000
0.0000000 1.0545100 0.0000000
0.0000000 0.0000000 1.0000000
423.7350000 100.7100000 32.1599000 11.8079000 4.6311000
1.8702500 2.6158400 0.9221670 0.3412870 0.1171670
0.0040610 0.0000000 0.0000000
0.0306813 0.0000000 0.0000000
0.1304520 0.0000000 0.0000000
0.3272050 0.0000000 0.0000000
0.4528510 0.0000000 0.0000000
0.2560420 0.0000000 0.0000000
0.0000000 -0.0145105 0.0000000
0.0000000 0.3102630 0.0000000
0.0000000 0.7544830 0.0000000
0.0000000 0.0000000 1.0000000
CL:6-31G
SOSA6-31G BASIS FROM GAUSSIAN-82
3
0 0 1
1 3 3
6 10 10
25180.1000000 3780.3500000 860.4740000 242.1450000 77.3349000
26.2470000
0.0018330
0.0140342
0.0690974
0.2374520
0.4830340
0.3398560
491.7650000 116.9840000 37.4153000 13.7834000 5.4521500
2.2258800 3.1864900 1.1442700 0.4203770 0.1426570
-0.0022974 0.0000000 0.0000000
-0.0307137 0.0000000 0.0000000
-0.1125280 0.0000000 0.0000000
0.0450163 0.0000000 0.0000000
0.5893530 0.0000000 0.0000000
0.4652060 0.0000000 0.0000000
0.0000000 -0.2518270 0.0000000
0.0000000 0.0615890 0.0000000
0.0000000 1.0601800 0.0000000
0.0000000 0.0000000 1.0000000
491.7650000 116.9840000 37.4153000 13.7834000 5.4521500
2.2258800 3.1864900 1.1442700 0.4203770 0.1426570
0.0039894 0.0000000 0.0000000
0.0303177 0.0000000 0.0000000
0.1298800 0.0000000 0.0000000
0.3279510 0.0000000 0.0000000
0.4535270 0.0000000 0.0000000
0.2521540 0.0000000 0.0000000
0.0000000 -0.0142993 0.0000000
0.0000000 0.3235720 0.0000000
0.0000000 0.7435070 0.0000000
0.0000000 0.0000000 1.0000000
H:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
1
0
3
5
33.8650000 5.0947900 1.1587900 0.3258400 0.1027410
0.0254938 0.0000000 0.0000000
0.1903730 0.0000000 0.0000000
0.8521610 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
HE:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
1
0
3
5
98.1243000 14.7689000 3.3188300 0.8740470 0.2445640
0.0287452 0.0000000 0.0000000
0.2080610 0.0000000 0.0000000
0.8376350 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
LI:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
900.4600000 134.4330000 30.4365000 8.6263900 2.4833200
0.3031790 4.8689000 0.8569240 0.2432270 0.0635070
0.0243683
0.0022870 0.0000000 0.0000000 0.0000000
0.0176350 0.0000000 0.0000000 0.0000000
0.0873434 0.0000000 0.0000000 0.0000000
0.2809770 0.0000000 0.0000000 0.0000000
0.6587410 0.0000000 0.0000000 0.0000000
0.1187120 0.0000000 0.0000000 0.0000000
0.0000000 0.0933293 0.0000000 0.0000000
0.0000000 0.9430450 0.0000000 0.0000000
0.0000000 -0.0027983 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
4.8689000 0.8569240 0.2432270 0.0635070 0.0243683
0.0327661 0.0000000 0.0000000
0.1597920 0.0000000 0.0000000
0.8856670 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
BE:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
1682.8000000 251.7150000 57.4116000 16.5171000 4.8536400
0.6268630 8.3093800 1.7407500 0.4858160 0.1636130
0.0567285
0.0022857 0.0000000 0.0000000 0.0000000
0.0175938 0.0000000 0.0000000 0.0000000
0.0863315 0.0000000 0.0000000 0.0000000
0.2818350 0.0000000 0.0000000 0.0000000
0.6405940 0.0000000 0.0000000 0.0000000
0.1444670 0.0000000 0.0000000 0.0000000
0.0000000 0.1086210 0.0000000 0.0000000
0.0000000 0.9273010 0.0000000 0.0000000
0.0000000 -0.0029717 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
8.3093800 1.7407500 0.4858160 0.1636130 0.0567285
0.0361344 0.0000000 0.0000000
0.2169580 0.0000000 0.0000000
0.8418390 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
B:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
2858.8900000 428.1400000 97.5282000 27.9693000 8.2157700
1.1127800 13.2415000 3.0016600 0.9128560 0.3154540
0.0988563
0.0021538 0.0000000 0.0000000 0.0000000
0.0165823 0.0000000 0.0000000 0.0000000
0.0821870 0.0000000 0.0000000 0.0000000
0.2766180 0.0000000 0.0000000 0.0000000
0.6293160 0.0000000 0.0000000 0.0000000
0.1737700 0.0000000 0.0000000 0.0000000
0.0000000 0.1174430 0.0000000 0.0000000
0.0000000 0.9180020 0.0000000 0.0000000
0.0000000 -0.0026511 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
13.2415000 3.0016600 0.9128560 0.3154540 0.0988563
0.0418100 0.0000000 0.0000000
0.2365750 0.0000000 0.0000000
0.8162140 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
C:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
4563.2400000 682.0240000 154.9730000 44.4553000 13.0290000
1.8277300 20.9642000 4.8033100 1.4593300 0.4834560
0.1455850
0.0019667 0.0000000 0.0000000 0.0000000
0.0152306 0.0000000 0.0000000 0.0000000
0.0761269 0.0000000 0.0000000 0.0000000
0.2608010 0.0000000 0.0000000 0.0000000
0.6164620 0.0000000 0.0000000 0.0000000
0.2210060 0.0000000 0.0000000 0.0000000
0.0000000 0.1146600 0.0000000 0.0000000
0.0000000 0.9199990 0.0000000 0.0000000
0.0000000 -0.0030307 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
20.9642000 4.8033100 1.4593300 0.4834560 0.1455850
0.0402487 0.0000000 0.0000000
0.2375940 0.0000000 0.0000000
0.8158540 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
N:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
6293.4800000 949.0440000 218.7760000 63.6916000 18.8282000
2.7202300 30.6331000 7.0261400 2.1120500 0.6840090
0.2008780
0.0019698 0.0000000 0.0000000 0.0000000
0.0149613 0.0000000 0.0000000 0.0000000
0.0735006 0.0000000 0.0000000 0.0000000
0.2489370 0.0000000 0.0000000 0.0000000
0.6024600 0.0000000 0.0000000 0.0000000
0.2562020 0.0000000 0.0000000 0.0000000
0.0000000 0.1119060 0.0000000 0.0000000
0.0000000 0.9216660 0.0000000 0.0000000
0.0000000 -0.0025692 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
30.6331000 7.0261400 2.1120500 0.6840090 0.2008780
0.0383119 0.0000000 0.0000000
0.2374030 0.0000000 0.0000000
0.8175920 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
O:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
8588.5000000 1297.2300000 299.2960000 87.3771000 25.6789000
3.7400400 42.1175000 9.6283700 2.8533200 0.9056610
0.2556110
0.0018952 0.0000000 0.0000000 0.0000000
0.0143859 0.0000000 0.0000000 0.0000000
0.0707320 0.0000000 0.0000000 0.0000000
0.2400010 0.0000000 0.0000000 0.0000000
0.5947970 0.0000000 0.0000000 0.0000000
0.2808020 0.0000000 0.0000000 0.0000000
0.0000000 0.1138890 0.0000000 0.0000000
0.0000000 0.9208110 0.0000000 0.0000000
0.0000000 -0.0032745 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
42.1175000 9.6283700 2.8533200 0.9056610 0.2556110
0.0365114 0.0000000 0.0000000
0.2371530 0.0000000 0.0000000
0.8197020 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
F:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
11427.1000000 1722.3500000 395.7460000 115.1390000 33.6026000
4.9190100 55.4441000 12.6323000 3.7175600 1.1654500
0.3218920
0.0018009 0.0000000 0.0000000 0.0000000
0.0137419 0.0000000 0.0000000 0.0000000
0.0681334 0.0000000 0.0000000 0.0000000
0.2333250 0.0000000 0.0000000 0.0000000
0.5890860 0.0000000 0.0000000 0.0000000
0.2995050 0.0000000 0.0000000 0.0000000
0.0000000 0.1145360 0.0000000 0.0000000
0.0000000 0.9205120 0.0000000 0.0000000
0.0000000 -0.0033780 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
55.4441000 12.6323000 3.7175600 1.1654500 0.3218920
0.0354609 0.0000000 0.0000000
0.2374510 0.0000000 0.0000000
0.8204580 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
NE:6-311G
SOSA6-311G BASIS FROM GAUSSIAN-82
2
0 1
4 3
11 5
13995.7000000 2117.1000000 490.4250000 143.8330000 41.9265000
6.1568400 69.1211000 15.8350000 4.6732600 1.4575600
0.3970570
0.0018328 0.0000000 0.0000000 0.0000000
0.0138827 0.0000000 0.0000000 0.0000000
0.0680687 0.0000000 0.0000000 0.0000000
0.2313280 0.0000000 0.0000000 0.0000000
0.5858900 0.0000000 0.0000000 0.0000000
0.3058830 0.0000000 0.0000000 0.0000000
0.0000000 0.1191490 0.0000000 0.0000000
0.0000000 0.9173750 0.0000000 0.0000000
0.0000000 -0.0040584 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
69.1211000 15.8350000 4.6732600 1.4575600 0.3970570
0.0356574 0.0000000 0.0000000
0.2394770 0.0000000 0.0000000
0.8184610 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
H:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
1
0
1
3
3.4252509 0.6239137 0.1688554
0.1543290
0.5353281
0.4446345
HE:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
1
0
1
3
6.3624214 1.1589230 0.3136498
0.1543290
0.5353281
0.4446345
LI:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
16.1195748 2.9362007 0.7946505 0.6362897 0.1478601
0.0480887
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
0.6362897 0.1478601 0.0480887
0.1559163
0.6076837
0.3919574
BE:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
30.1678707 5.4951153 1.4871927 1.3148331 0.3055389
0.0993707
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
1.3148331 0.3055389 0.0993707
0.1559163
0.6076837
0.3919574
B:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
48.7911132 8.8873622 2.4052670 2.2369561 0.5198205
0.1690618
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
2.2369561 0.5198205 0.1690618
0.1559163
0.6076837
0.3919574
C:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
71.6168373 13.0450963 3.5305122 2.9412494 0.6834831
0.2222899
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
2.9412494 0.6834831 0.2222899
0.1559163
0.6076837
0.3919574
N:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
99.1061690 18.0523124 4.8856602 3.7804559 0.8784966
0.2857144
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
3.7804559 0.8784966 0.2857144
0.1559163
0.6076837
0.3919574
O:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
130.7093214 23.8088661 6.4436083 5.0331513 1.1695961
0.3803890
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
5.0331513 1.1695961 0.3803890
0.1559163
0.6076837
0.3919574
F:STO-3G
SOSA STO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
166.6791340 30.3608123 8.2168207 6.4648032 1.5022812
0.4885885
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
6.4648032 1.5022812 0.4885885
0.1559163
0.6076837
0.3919574
NE:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
2 1
6 3
207.0156070 37.7081512 10.2052973 8.2463151 1.9162663
0.6232293
0.1543290 0.0000000
0.5353281 0.0000000
0.4446345 0.0000000
0.0000000 -0.0999672
0.0000000 0.3995128
0.0000000 0.7001155
8.2463151 1.9162663 0.6232293
0.1559163
0.6076837
0.3919574
NA:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
3 2
9 6
250.7724300 45.6785112 12.3623878 12.0401927 2.7978819
0.9099580 1.4787406 0.4125649 0.1614751
0.1543290 0.0000000 0.0000000
0.5353281 0.0000000 0.0000000
0.4446345 0.0000000 0.0000000
0.0000000 -0.0999672 0.0000000
0.0000000 0.3995128 0.0000000
0.0000000 0.7001155 0.0000000
0.0000000 0.0000000 -0.2196204
0.0000000 0.0000000 0.2255954
0.0000000 0.0000000 0.9003984
12.0401927 2.7978819 0.9099580 1.4787406 0.4125649
0.1614751
0.1559163 0.0000000
0.6076837 0.0000000
0.3919574 0.0000000
0.0000000 0.0105876
0.0000000 0.5951670
0.0000000 0.4620010
MG:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
3 2
9 6
299.2374137 54.5064684 14.7515775 15.1218235 3.5139866
1.1428575 1.3954483 0.3893265 0.1523798
0.1543290 0.0000000 0.0000000
0.5353281 0.0000000 0.0000000
0.4446345 0.0000000 0.0000000
0.0000000 -0.0999672 0.0000000
0.0000000 0.3995128 0.0000000
0.0000000 0.7001155 0.0000000
0.0000000 0.0000000 -0.2196204
0.0000000 0.0000000 0.2255954
0.0000000 0.0000000 0.9003984
15.1218235 3.5139866 1.1428575 1.3954483 0.3893265
0.1523798
0.1559163 0.0000000
0.6076837 0.0000000
0.3919574 0.0000000
0.0000000 0.0105876
0.0000000 0.5951670
0.0000000 0.4620010
AL:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
3 2
9 6
351.4214767 64.0118607 17.3241076 18.8993962 4.3918132
1.4283540 1.3954483 0.3893265 0.1523798
0.1543290 0.0000000 0.0000000
0.5353281 0.0000000 0.0000000
0.4446345 0.0000000 0.0000000
0.0000000 -0.0999672 0.0000000
0.0000000 0.3995128 0.0000000
0.0000000 0.7001155 0.0000000
0.0000000 0.0000000 -0.2196204
0.0000000 0.0000000 0.2255954
0.0000000 0.0000000 0.9003984
18.8993962 4.3918132 1.4283540 1.3954483 0.3893265
0.1523798
0.1559163 0.0000000
0.6076837 0.0000000
0.3919574 0.0000000
0.0000000 0.0105876
0.0000000 0.5951670
0.0000000 0.4620010
SI:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
3 2
9 6
407.7975514 74.2808330 20.1032923 23.1936561 5.3897069
1.7529000 1.4787406 0.4125649 0.1614751
0.1543290 0.0000000 0.0000000
0.5353281 0.0000000 0.0000000
0.4446345 0.0000000 0.0000000
0.0000000 -0.0999672 0.0000000
0.0000000 0.3995128 0.0000000
0.0000000 0.7001155 0.0000000
0.0000000 0.0000000 -0.2196204
0.0000000 0.0000000 0.2255954
0.0000000 0.0000000 0.9003984
23.1936561 5.3897069 1.7529000 1.4787406 0.4125649
0.1614751
0.1559163 0.0000000
0.6076837 0.0000000
0.3919574 0.0000000
0.0000000 0.0105876
0.0000000 0.5951670
0.0000000 0.4620010
P:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
3 2
9 6
468.3656378 85.3133856 23.0891316 28.0326396 6.5141826
2.1186144 1.7431032 0.4863214 0.1903429
0.1543290 0.0000000 0.0000000
0.5353281 0.0000000 0.0000000
0.4446345 0.0000000 0.0000000
0.0000000 -0.0999672 0.0000000
0.0000000 0.3995128 0.0000000
0.0000000 0.7001155 0.0000000
0.0000000 0.0000000 -0.2196204
0.0000000 0.0000000 0.2255954
0.0000000 0.0000000 0.9003984
28.0326396 6.5141826 2.1186144 1.7431032 0.4863214
0.1903429
0.1559163 0.0000000
0.6076837 0.0000000
0.3919574 0.0000000
0.0000000 0.0105876
0.0000000 0.5951670
0.0000000 0.4620010
S:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
3 2
9 6
533.1257359 97.1095183 26.2816254 33.3297517 7.7451175
2.5189526 2.0291943 0.5661401 0.2215834
0.1543290 0.0000000 0.0000000
0.5353281 0.0000000 0.0000000
0.4446345 0.0000000 0.0000000
0.0000000 -0.0999672 0.0000000
0.0000000 0.3995128 0.0000000
0.0000000 0.7001155 0.0000000
0.0000000 0.0000000 -0.2196204
0.0000000 0.0000000 0.2255954
0.0000000 0.0000000 0.9003984
33.3297517 7.7451175 2.5189526 2.0291943 0.5661401
0.2215834
0.1559163 0.0000000
0.6076837 0.0000000
0.3919574 0.0000000
0.0000000 0.0105876
0.0000000 0.5951670
0.0000000 0.4620010
CL:STO-3G
SOSASTO-3G BASIS FROM GAUSSIAN-82
2
0 1
3 2
9 6
601.3456136 109.5358542 29.6446769 38.9604189 9.0535635
2.9444998 2.1293865 0.5940934 0.2325241
0.1543290 0.0000000 0.0000000
0.5353281 0.0000000 0.0000000
0.4446345 0.0000000 0.0000000
0.0000000 -0.0999672 0.0000000
0.0000000 0.3995128 0.0000000
0.0000000 0.7001155 0.0000000
0.0000000 0.0000000 -0.2196204
0.0000000 0.0000000 0.2255954
0.0000000 0.0000000 0.9003984
38.9604189 9.0535635 2.9444998 2.1293865 0.5940934
0.2325241
0.1559163 0.0000000
0.6076837 0.0000000
0.3919574 0.0000000
0.0000000 0.0105876
0.0000000 0.5951670
0.0000000 0.4620010
H:6-31G**
SOSA6-31G* BASIS FROM GAUSSIAN-82
2
0 1
2 1
4 1
18.7311370 2.8253944 0.6401217 0.1612778
0.0334946 0.0000000
0.2347270 0.0000000
0.8137573 0.0000000
0.0000000 1.0000000
1.1000000
1.0000000
HE:6-31G**
SOSA6-31G* BASIS FROM GAUSSIAN-82
2
0 1
2 1
4 1
38.4216340 5.7780300 1.2417740 0.2979640
0.0237660 0.0000000
0.1546790 0.0000000
0.4696300 0.0000000
0.0000000 1.0000000
1.1000000
1.0000000
LI:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
642.4189150 96.7985153 22.0911212 6.2010702 1.9351177
0.6367358 2.3249184 0.6324304 0.0790534 0.0359620
0.0021426 0.0000000 0.0000000
0.0162089 0.0000000 0.0000000
0.0773156 0.0000000 0.0000000
0.2457861 0.0000000 0.0000000
0.4701890 0.0000000 0.0000000
0.3454708 0.0000000 0.0000000
0.0000000 -0.0350917 0.0000000
0.0000000 -0.1912328 0.0000000
0.0000000 1.0839878 0.0000000
0.0000000 0.0000000 1.0000000
2.3249184 0.6324304 0.0790534 0.0359620
0.0089415 0.0000000
0.1410095 0.0000000
0.9453637 0.0000000
0.0000000 1.0000000
0.2000000
1.0000000
BE:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
1264.5856900 189.9368060 43.1590890 12.0986627 3.8063232
1.2728903 3.1964631 0.7478133 0.2199663 0.0823099
0.0019448 0.0000000 0.0000000
0.0148351 0.0000000 0.0000000
0.0720905 0.0000000 0.0000000
0.2371542 0.0000000 0.0000000
0.4691987 0.0000000 0.0000000
0.3565202 0.0000000 0.0000000
0.0000000 -0.1126487 0.0000000
0.0000000 -0.2295064 0.0000000
0.0000000 1.1869168 0.0000000
0.0000000 0.0000000 1.0000000
3.1964631 0.7478133 0.2199663 0.0823099
0.0559802 0.0000000
0.2615506 0.0000000
0.7939723 0.0000000
0.0000000 1.0000000
0.4000000
1.0000000
B:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
2068.8822500 310.6495700 70.6830330 19.8610803 6.2993048
2.1270270 4.7279711 1.1903377 0.3594117 0.1267512
0.0018663 0.0000000 0.0000000
0.0142515 0.0000000 0.0000000
0.0695516 0.0000000 0.0000000
0.2325729 0.0000000 0.0000000
0.4670787 0.0000000 0.0000000
0.3634314 0.0000000 0.0000000
0.0000000 -0.1303938 0.0000000
0.0000000 -0.1307890 0.0000000
0.0000000 1.1309445 0.0000000
0.0000000 0.0000000 1.0000000
4.7279711 1.1903377 0.3594117 0.1267512
0.0745976 0.0000000
0.3078467 0.0000000
0.7434568 0.0000000
0.0000000 1.0000000
0.6000000
1.0000000
C:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
3047.5248800 457.3695180 103.9486850 29.2101553 9.2866630
3.1639270 7.8682724 1.8812885 0.5442493 0.1687145
0.0018347 0.0000000 0.0000000
0.0140373 0.0000000 0.0000000
0.0688426 0.0000000 0.0000000
0.2321844 0.0000000 0.0000000
0.4679413 0.0000000 0.0000000
0.3623120 0.0000000 0.0000000
0.0000000 -0.1193324 0.0000000
0.0000000 -0.1608542 0.0000000
0.0000000 1.1434564 0.0000000
0.0000000 0.0000000 1.0000000
7.8682724 1.8812885 0.5442493 0.1687145
0.0689991 0.0000000
0.3164240 0.0000000
0.7443083 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
N:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
4173.5114600 627.4579110 142.9020930 40.2343293 12.8202129
4.3904370 11.6263619 2.7162798 0.7722184 0.2120315
0.0018348 0.0000000 0.0000000
0.0139946 0.0000000 0.0000000
0.0685866 0.0000000 0.0000000
0.2322409 0.0000000 0.0000000
0.4690699 0.0000000 0.0000000
0.3604552 0.0000000 0.0000000
0.0000000 -0.1149612 0.0000000
0.0000000 -0.1691175 0.0000000
0.0000000 1.1458519 0.0000000
0.0000000 0.0000000 1.0000000
11.6263619 2.7162798 0.7722184 0.2120315
0.0675797 0.0000000
0.3239073 0.0000000
0.7408951 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
O:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
5484.6716600 825.2349460 188.0469580 52.9645000 16.8975704
5.7996353 15.5396162 3.5999336 1.0137618 0.2700058
0.0018311 0.0000000 0.0000000
0.0139502 0.0000000 0.0000000
0.0684451 0.0000000 0.0000000
0.2327143 0.0000000 0.0000000
0.4701929 0.0000000 0.0000000
0.3585209 0.0000000 0.0000000
0.0000000 -0.1107775 0.0000000
0.0000000 -0.1480263 0.0000000
0.0000000 1.1307670 0.0000000
0.0000000 0.0000000 1.0000000
15.5396162 3.5999336 1.0137618 0.2700058
0.0708743 0.0000000
0.3397528 0.0000000
0.7271586 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
F:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
7001.7130900 1051.3660900 239.2856900 67.3974453 21.5199573
7.4031013 20.8479528 4.8083083 1.3440699 0.3581514
0.0018196 0.0000000 0.0000000
0.0139161 0.0000000 0.0000000
0.0684053 0.0000000 0.0000000
0.2331858 0.0000000 0.0000000
0.4712674 0.0000000 0.0000000
0.3566185 0.0000000 0.0000000
0.0000000 -0.1085070 0.0000000
0.0000000 -0.1464517 0.0000000
0.0000000 1.1286886 0.0000000
0.0000000 0.0000000 1.0000000
20.8479528 4.8083083 1.3440699 0.3581514
0.0716287 0.0000000
0.3459121 0.0000000
0.7224700 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
NE:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
3 2 1
10 4 1
8425.8515300 1268.5194000 289.6214140 81.8590040 26.2515079
9.0947205 26.5321310 6.1017550 1.6962715 0.4458187
0.0018843 0.0000000 0.0000000
0.0143369 0.0000000 0.0000000
0.0701096 0.0000000 0.0000000
0.2373733 0.0000000 0.0000000
0.4730071 0.0000000 0.0000000
0.3484012 0.0000000 0.0000000
0.0000000 -0.1071183 0.0000000
0.0000000 -0.1461638 0.0000000
0.0000000 1.1277735 0.0000000
0.0000000 0.0000000 1.0000000
26.5321310 6.1017550 1.6962715 0.4458187
0.0719096 0.0000000
0.3495134 0.0000000
0.7199405 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
NA:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
5
0 0 1 1 2
1 3 1 2 1
6 10 6 4 1
9993.2000000 1499.8900000 341.9510000 94.6796000 29.7345000
10.0063000
0.0019377
0.0148070
0.0727055
0.2526290
0.4932420
0.3131690
150.9630000 35.5878000 11.1683000 3.9020100 1.3817700
0.4663820 0.4979660 0.0843529 0.0666350 0.0259544
-0.0035421 0.0000000 0.0000000
-0.0439588 0.0000000 0.0000000
-0.1097520 0.0000000 0.0000000
0.1873980 0.0000000 0.0000000
0.6466990 0.0000000 0.0000000
0.3060580 0.0000000 0.0000000
0.0000000 -0.2485030 0.0000000
0.0000000 -0.1317040 0.0000000
0.0000000 1.2335200 0.0000000
0.0000000 0.0000000 1.0000000
150.9630000 35.5878000 11.1683000 3.9020100 1.3817700
0.4663820
0.0050017
0.0355109
0.1428250
0.3386200
0.4515790
0.2732710
0.4979660 0.0843529 0.0666350 0.0259544
-0.0230225 0.0000000
0.9503590 0.0000000
0.0598579 0.0000000
0.0000000 1.0000000
0.1750000
1.0000000
MG:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
5
0 0 1 1 2
1 3 1 2 1
6 10 6 4 1
11722.8000000 1759.9300000 400.8460000 112.8070000 35.9997000
12.1828000
0.0019778
0.0151140
0.0739108
0.2491910
0.4879280
0.3196620
189.1800000 45.2119000 14.3563000 5.1388600 1.9065200
0.7058870 0.9293400 0.2690350 0.1173790 0.0421061
-0.0032372 0.0000000 0.0000000
-0.0410079 0.0000000 0.0000000
-0.1126000 0.0000000 0.0000000
0.1486330 0.0000000 0.0000000
0.6164970 0.0000000 0.0000000
0.3648290 0.0000000 0.0000000
0.0000000 -0.2122900 0.0000000
0.0000000 -0.1079850 0.0000000
0.0000000 1.1758400 0.0000000
0.0000000 0.0000000 1.0000000
189.1800000 45.2119000 14.3563000 5.1388600 1.9065200
0.7058870
0.0049281
0.0349888
0.1407250
0.3336420
0.4449400
0.2692540
0.9293400 0.2690350 0.1173790 0.0421061
-0.0224192 0.0000000
0.1922710 0.0000000
0.8461810 0.0000000
0.0000000 1.0000000
0.1750000
1.0000000
AL:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
5
0 0 1 1 2
1 3 1 2 1
6 10 6 4 1
13983.1000000 2098.7500000 477.7050000 134.3600000 42.8709000
14.5189000
0.0019427
0.0148599
0.0728494
0.2468300
0.4872580
0.3234960
239.6680000 57.4419000 18.2859000 6.5991400 2.4904900
0.9445450 1.2779000 0.3975900 0.1600950 0.0556577
-0.0029262 0.0000000 0.0000000
-0.0374083 0.0000000 0.0000000
-0.1144870 0.0000000 0.0000000
0.1156350 0.0000000 0.0000000
0.6125950 0.0000000 0.0000000
0.3937990 0.0000000 0.0000000
0.0000000 -0.2276060 0.0000000
0.0000000 0.0014458 0.0000000
0.0000000 1.0927900 0.0000000
0.0000000 0.0000000 1.0000000
239.6680000 57.4419000 18.2859000 6.5991400 2.4904900
0.9445450
0.0046029
0.0331990
0.1362820
0.3304760
0.4491460
0.2657040
1.2779000 0.3975900 0.1600950 0.0556577
-0.0175126 0.0000000
0.2445330 0.0000000
0.8049340 0.0000000
0.0000000 1.0000000
0.3250000
1.0000000
SI:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
5
0 0 1 1 2
1 3 1 2 1
6 10 6 4 1
16115.9000000 2425.5800000 553.8670000 156.3400000 50.0683000
17.0178000
0.0019595
0.0149288
0.0728478
0.2461300
0.4859140
0.3250020
292.7180000 69.8731000 22.3363000 8.1503900 3.1345800
1.2254300 1.7273800 0.5729220 0.2221920 0.0778369
-0.0027809 0.0000000 0.0000000
-0.0357146 0.0000000 0.0000000
-0.1149850 0.0000000 0.0000000
0.0935634 0.0000000 0.0000000
0.6030170 0.0000000 0.0000000
0.4189590 0.0000000 0.0000000
0.0000000 -0.2446300 0.0000000
0.0000000 0.0043157 0.0000000
0.0000000 1.0981800 0.0000000
0.0000000 0.0000000 1.0000000
292.7180000 69.8731000 22.3363000 8.1503900 3.1345800
1.2254300
0.0044383
0.0326679
0.1347210
0.3286780
0.4496400
0.2613720
1.7273800 0.5729220 0.2221920 0.0778369
-0.0177951 0.0000000
0.2535390 0.0000000
0.8006690 0.0000000
0.0000000 1.0000000
0.4500000
1.0000000
P:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
5
0 0 1 1 2
1 3 1 2 1
6 10 6 4 1
19413.3000000 2909.4200000 661.3640000 185.7590000 59.1943000
20.0310000
0.0018516
0.0142062
0.0699995
0.2400790
0.4847620
0.3352000
339.4780000 81.0101000 25.8780000 9.4522100 3.6656600
1.4674600 2.1562300 0.7489970 0.2831450 0.0998317
-0.0027822 0.0000000 0.0000000
-0.0360499 0.0000000 0.0000000
-0.1166310 0.0000000 0.0000000
0.0968328 0.0000000 0.0000000
0.6144180 0.0000000 0.0000000
0.4037980 0.0000000 0.0000000
0.0000000 -0.2529230 0.0000000
0.0000000 0.0328517 0.0000000
0.0000000 1.0812500 0.0000000
0.0000000 0.0000000 1.0000000
339.4780000 81.0101000 25.8780000 9.4522100 3.6656600
1.4674600
0.0045646
0.0336936
0.1397550
0.3393620
0.4509210
0.2385860
2.1562300 0.7489970 0.2831450 0.0998317
-0.0177653 0.0000000
0.2740580 0.0000000
0.7854210 0.0000000
0.0000000 1.0000000
0.5500000
1.0000000
S:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
5
0 0 1 1 2
1 3 1 2 1
6 10 6 4 1
21917.1000000 3301.4900000 754.1460000 212.7110000 67.9896000
23.0515000
0.0018692
0.0142303
0.0696962
0.2384870
0.4833070
0.3380740
423.7350000 100.7100000 32.1599000 11.8079000 4.6311000
1.8702500 2.6158400 0.9221670 0.3412870 0.1171670
-0.0023768 0.0000000 0.0000000
-0.0316930 0.0000000 0.0000000
-0.1133170 0.0000000 0.0000000
0.0560900 0.0000000 0.0000000
0.5922550 0.0000000 0.0000000
0.4550060 0.0000000 0.0000000
0.0000000 -0.2503740 0.0000000
0.0000000 0.0669570 0.0000000
0.0000000 1.0545100 0.0000000
0.0000000 0.0000000 1.0000000
423.7350000 100.7100000 32.1599000 11.8079000 4.6311000
1.8702500
0.0040610
0.0306813
0.1304520
0.3272050
0.4528510
0.2560420
2.6158400 0.9221670 0.3412870 0.1171670
-0.0145105 0.0000000
0.3102630 0.0000000
0.7544830 0.0000000
0.0000000 1.0000000
0.6500000
1.0000000
CL:6-31G*
SOSA6-31G* 6D BASIS FROM GAUSSIAN-82
5
0 0 1 1 2
1 3 1 2 1
6 10 6 4 1
25180.1000000 3780.3500000 860.4740000 242.1450000 77.3349000
26.2470000
0.0018330
0.0140342
0.0690974
0.2374520
0.4830340
0.3398560
491.7650000 116.9840000 37.4153000 13.7834000 5.4521500
2.2258800 3.1864900 1.1442700 0.4203770 0.1426570
-0.0022974 0.0000000 0.0000000
-0.0307137 0.0000000 0.0000000
-0.1125280 0.0000000 0.0000000
0.0450163 0.0000000 0.0000000
0.5893530 0.0000000 0.0000000
0.4652060 0.0000000 0.0000000
0.0000000 -0.2518270 0.0000000
0.0000000 0.0615890 0.0000000
0.0000000 1.0601800 0.0000000
0.0000000 0.0000000 1.0000000
491.7650000 116.9840000 37.4153000 13.7834000 5.4521500
2.2258800
0.0039894
0.0303177
0.1298800
0.3279510
0.4535270
0.2521540
3.1864900 1.1442700 0.4203770 0.1426570
-0.0142993 0.0000000
0.3235720 0.0000000
0.7435070 0.0000000
0.0000000 1.0000000
0.7500000
1.0000000
H:6-311G*
SOSA6-311G* BASIS FROM GAUSSIAN-82
1
0
3
5
33.8650000 5.0947900 1.1587900 0.3258400 0.1027410
0.0254938 0.0000000 0.0000000
0.1903730 0.0000000 0.0000000
0.8521610 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
HE:6-311G*
SOSA6-311G* BASIS FROM GAUSSIAN-82
1
0
3
5
98.1243000 14.7689000 3.3188300 0.8740470 0.2445640
0.0287452 0.0000000 0.0000000
0.2080610 0.0000000 0.0000000
0.8376350 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
H:6-311G**
SOSA6-311G** BASIS FROM GAUSSIAN-82
2
0 1
3 1
5 1
33.8650000 5.0947900 1.1587900 0.3258400 0.1027410
0.0254938 0.0000000 0.0000000
0.1903730 0.0000000 0.0000000
0.8521610 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.7500000
1.0000000
HE:6-311G**
SOSA6-311G** BASIS FROM GAUSSIAN-82
2
0 1
3 1
5 1
98.1243000 14.7689000 3.3188300 0.8740470 0.2445640
0.0287452 0.0000000 0.0000000
0.2080610 0.0000000 0.0000000
0.8376350 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.7500000
1.0000000
LI:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
900.4600000 134.4330000 30.4365000 8.6263900 2.4833200
0.3031790 4.8689000 0.8569240 0.2432270 0.0635070
0.0243683
0.0022870 0.0000000 0.0000000 0.0000000
0.0176350 0.0000000 0.0000000 0.0000000
0.0873434 0.0000000 0.0000000 0.0000000
0.2809770 0.0000000 0.0000000 0.0000000
0.6587410 0.0000000 0.0000000 0.0000000
0.1187120 0.0000000 0.0000000 0.0000000
0.0000000 0.0933293 0.0000000 0.0000000
0.0000000 0.9430450 0.0000000 0.0000000
0.0000000 -0.0027983 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
4.8689000 0.8569240 0.2432270 0.0635070 0.0243683
0.0327661 0.0000000 0.0000000
0.1597920 0.0000000 0.0000000
0.8856670 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.2000000
1.0000000
B:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
2858.8900000 428.1400000 97.5282000 27.9693000 8.2157700
1.1127800 13.2415000 3.0016600 0.9128560 0.3154540
0.0988563
0.0021538 0.0000000 0.0000000 0.0000000
0.0165823 0.0000000 0.0000000 0.0000000
0.0821870 0.0000000 0.0000000 0.0000000
0.2766180 0.0000000 0.0000000 0.0000000
0.6293160 0.0000000 0.0000000 0.0000000
0.1737700 0.0000000 0.0000000 0.0000000
0.0000000 0.1174430 0.0000000 0.0000000
0.0000000 0.9180020 0.0000000 0.0000000
0.0000000 -0.0026511 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
13.2415000 3.0016600 0.9128560 0.3154540 0.0988563
0.0418100 0.0000000 0.0000000
0.2365750 0.0000000 0.0000000
0.8162140 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.4010000
1.0000000
C:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
4563.2400000 682.0240000 154.9730000 44.4553000 13.0290000
1.8277300 20.9642000 4.8033100 1.4593300 0.4834560
0.1455850
0.0019667 0.0000000 0.0000000 0.0000000
0.0152306 0.0000000 0.0000000 0.0000000
0.0761269 0.0000000 0.0000000 0.0000000
0.2608010 0.0000000 0.0000000 0.0000000
0.6164620 0.0000000 0.0000000 0.0000000
0.2210060 0.0000000 0.0000000 0.0000000
0.0000000 0.1146600 0.0000000 0.0000000
0.0000000 0.9199990 0.0000000 0.0000000
0.0000000 -0.0030307 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
20.9642000 4.8033100 1.4593300 0.4834560 0.1455850
0.0402487 0.0000000 0.0000000
0.2375940 0.0000000 0.0000000
0.8158540 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.6260000
1.0000000
N:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
6293.4800000 949.0440000 218.7760000 63.6916000 18.8282000
2.7202300 30.6331000 7.0261400 2.1120500 0.6840090
0.2008780
0.0019698 0.0000000 0.0000000 0.0000000
0.0149613 0.0000000 0.0000000 0.0000000
0.0735006 0.0000000 0.0000000 0.0000000
0.2489370 0.0000000 0.0000000 0.0000000
0.6024600 0.0000000 0.0000000 0.0000000
0.2562020 0.0000000 0.0000000 0.0000000
0.0000000 0.1119060 0.0000000 0.0000000
0.0000000 0.9216660 0.0000000 0.0000000
0.0000000 -0.0025692 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
30.6331000 7.0261400 2.1120500 0.6840090 0.2008780
0.0383119 0.0000000 0.0000000
0.2374030 0.0000000 0.0000000
0.8175920 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.9130000
1.0000000
O:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
8588.5000000 1297.2300000 299.2960000 87.3771000 25.6789000
3.7400400 42.1175000 9.6283700 2.8533200 0.9056610
0.2556110
0.0018952 0.0000000 0.0000000 0.0000000
0.0143859 0.0000000 0.0000000 0.0000000
0.0707320 0.0000000 0.0000000 0.0000000
0.2400010 0.0000000 0.0000000 0.0000000
0.5947970 0.0000000 0.0000000 0.0000000
0.2808020 0.0000000 0.0000000 0.0000000
0.0000000 0.1138890 0.0000000 0.0000000
0.0000000 0.9208110 0.0000000 0.0000000
0.0000000 -0.0032745 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
42.1175000 9.6283700 2.8533200 0.9056610 0.2556110
0.0365114 0.0000000 0.0000000
0.2371530 0.0000000 0.0000000
0.8197020 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.2920000
1.0000000
F:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
11427.1000000 1722.3500000 395.7460000 115.1390000 33.6026000
4.9190100 55.4441000 12.6323000 3.7175600 1.1654500
0.3218920
0.0018009 0.0000000 0.0000000 0.0000000
0.0137419 0.0000000 0.0000000 0.0000000
0.0681334 0.0000000 0.0000000 0.0000000
0.2333250 0.0000000 0.0000000 0.0000000
0.5890860 0.0000000 0.0000000 0.0000000
0.2995050 0.0000000 0.0000000 0.0000000
0.0000000 0.1145360 0.0000000 0.0000000
0.0000000 0.9205120 0.0000000 0.0000000
0.0000000 -0.0033780 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
55.4441000 12.6323000 3.7175600 1.1654500 0.3218920
0.0354609 0.0000000 0.0000000
0.2374510 0.0000000 0.0000000
0.8204580 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.7500000
1.0000000
NE:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
13995.7000000 2117.1000000 490.4250000 143.8330000 41.9265000
6.1568400 69.1211000 15.8350000 4.6732600 1.4575600
0.3970570
0.0018328 0.0000000 0.0000000 0.0000000
0.0138827 0.0000000 0.0000000 0.0000000
0.0680687 0.0000000 0.0000000 0.0000000
0.2313280 0.0000000 0.0000000 0.0000000
0.5858900 0.0000000 0.0000000 0.0000000
0.3058830 0.0000000 0.0000000 0.0000000
0.0000000 0.1191490 0.0000000 0.0000000
0.0000000 0.9173750 0.0000000 0.0000000
0.0000000 -0.0040584 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
69.1211000 15.8350000 4.6732600 1.4575600 0.3970570
0.0356574 0.0000000 0.0000000
0.2394770 0.0000000 0.0000000
0.8184610 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.3040000
1.0000000
BE:6-311G*
SOSA6-311G* 6D BASIS FROM GAUSSIAN-82
3
0 1 2
4 3 1
11 5 1
1682.8000000 251.7150000 57.4116000 16.5171000 4.8536400
0.6268630 8.3093800 1.7407500 0.4858160 0.1636130
0.0567285
0.0022857 0.0000000 0.0000000 0.0000000
0.0175938 0.0000000 0.0000000 0.0000000
0.0863315 0.0000000 0.0000000 0.0000000
0.2818350 0.0000000 0.0000000 0.0000000
0.6405940 0.0000000 0.0000000 0.0000000
0.1444670 0.0000000 0.0000000 0.0000000
0.0000000 0.1086210 0.0000000 0.0000000
0.0000000 0.9273010 0.0000000 0.0000000
0.0000000 -0.0029717 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
8.3093800 1.7407500 0.4858160 0.1636130 0.0567285
0.0361344 0.0000000 0.0000000
0.2169580 0.0000000 0.0000000
0.8418390 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.2550000
1.0000000
H:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
1
0
2
4
19.2406000 2.8992000 0.6534000 0.1776000
0.0328280 0.0000000
0.2312080 0.0000000
0.8172380 0.0000000
0.0000000 1.0000000
LI:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
921.3000000 138.7000000 31.9400000 9.3530000 3.1580000
1.1570000 0.4446000 0.4446000 0.0766600
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.1607010 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 0.1694680 0.0000000 0.0000000
0.0000000 0.0000000 -0.2223110 0.0000000
0.0000000 0.0000000 0.0000000 1.1164770
0.0286400 1.4880000 0.2667000 0.0720100 0.0237000
0.0000000 0.0000000
0.0387700 0.0000000
0.2362570 0.0000000
0.8304480 0.0000000
0.0000000 1.0000000
BE:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
1741.0000000 262.1000000 60.3300000 17.6200000 5.9330000
2.1850000 0.8590000 2.1850000 0.1806000
0.0013050 0.0000000 0.0000000 0.0000000
0.0099550 0.0000000 0.0000000 0.0000000
0.0480310 0.0000000 0.0000000 0.0000000
0.1585770 0.0000000 0.0000000 0.0000000
0.3513250 0.0000000 0.0000000 0.0000000
0.4270060 0.0000000 0.0000000 0.0000000
0.0000000 0.1604900 0.0000000 0.0000000
0.0000000 0.0000000 -0.1852940 0.0000000
0.0000000 0.0000000 0.0000000 1.0570140
0.0583500 6.7100000 1.4420000 0.4103000 0.1397000
0.0000000 0.0000000
0.0163780 0.0000000
0.0915530 0.0000000
0.3414690 0.0000000
0.0000000 0.6854280
B:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
2788.4100000 419.0390000 96.4683000 28.0694000 9.3760000
1.3057000 3.4062000 0.3245000 0.1022000
0.0021220 0.0000000 0.0000000 0.0000000
0.0167100 0.0000000 0.0000000 0.0000000
0.0783560 0.0000000 0.0000000 0.0000000
0.2632500 0.0000000 0.0000000 0.0000000
0.5967290 0.0000000 0.0000000 0.0000000
0.2303970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
11.3413000 2.4360000 0.6836000 0.2134000 0.0701000
0.0179870 0.0000000
0.1103390 0.0000000
0.3831110 0.0000000
0.6478600 0.0000000
0.0000000 1.0000000
C:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
4232.6100000 634.8820000 146.0970000 42.4974000 14.1892000
1.9666000 5.1477000 0.4962000 0.1533000
0.0020290 0.0000000 0.0000000 0.0000000
0.0155350 0.0000000 0.0000000 0.0000000
0.0754110 0.0000000 0.0000000 0.0000000
0.2571210 0.0000000 0.0000000 0.0000000
0.5965550 0.0000000 0.0000000 0.0000000
0.2425170 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
18.1557000 3.9864000 1.1429000 0.3594000 0.1146000
0.0185340 0.0000000
0.1154420 0.0000000
0.3862060 0.0000000
0.6400890 0.0000000
0.0000000 1.0000000
N:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
5909.4400000 887.4510000 204.7900000 59.8376000 19.9981000
2.6860000 7.1927000 0.7000000 0.2133000
0.0020040 0.0000000 0.0000000 0.0000000
0.0153100 0.0000000 0.0000000 0.0000000
0.0742930 0.0000000 0.0000000 0.0000000
0.2533640 0.0000000 0.0000000 0.0000000
0.6005760 0.0000000 0.0000000 0.0000000
0.2451110 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
26.7860000 5.9564000 1.7074000 0.5314000 0.1654000
0.0182570 0.0000000
0.1164070 0.0000000
0.3901110 0.0000000
0.6372210 0.0000000
0.0000000 1.0000000
O:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
7816.5400000 1175.8200000 273.1880000 81.1696000 27.1836000
3.4136000 9.5322000 0.9398000 0.2846000
0.0020310 0.0000000 0.0000000 0.0000000
0.0154360 0.0000000 0.0000000 0.0000000
0.0737710 0.0000000 0.0000000 0.0000000
0.2476060 0.0000000 0.0000000 0.0000000
0.6118320 0.0000000 0.0000000 0.0000000
0.2412050 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
35.1832000 7.9040000 2.3051000 0.7171000 0.2137000
0.0195800 0.0000000
0.1241890 0.0000000
0.3947270 0.0000000
0.6273750 0.0000000
0.0000000 1.0000000
F:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
9994.7900000 1506.0300000 350.2690000 104.0530000 34.8432000
4.3688000 12.2164000 1.2078000 0.3634000
0.0020170 0.0000000 0.0000000 0.0000000
0.0152950 0.0000000 0.0000000 0.0000000
0.0731100 0.0000000 0.0000000 0.0000000
0.2464200 0.0000000 0.0000000 0.0000000
0.6125930 0.0000000 0.0000000 0.0000000
0.2424890 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.3555000 10.0820000 2.9959000 0.9383000 0.2733000
0.0208680 0.0000000
0.1300920 0.0000000
0.3962190 0.0000000
0.6203680 0.0000000
0.0000000 1.0000000
NE:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
4 2
9 5
12100.0000000 1821.0000000 432.8000000 132.5000000 43.7700000
14.9100000 5.1270000 14.9100000 1.4910000
0.0012000 0.0000000 0.0000000 0.0000000
0.0090920 0.0000000 0.0000000 0.0000000
0.0413050 0.0000000 0.0000000 0.0000000
0.1378670 0.0000000 0.0000000 0.0000000
0.3624330 0.0000000 0.0000000 0.0000000
0.4722470 0.0000000 0.0000000 0.0000000
0.0000000 0.1300350 0.0000000 0.0000000
0.0000000 0.0000000 -0.1408100 0.0000000
0.0000000 0.0000000 0.0000000 1.0533270
0.4468000 56.4500000 12.9200000 3.8650000 1.2030000
0.0000000 0.0000000
0.0208750 0.0000000
0.1300320 0.0000000
0.3956790 0.0000000
0.0000000 0.6214500
AL:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
6 4
12 8
23490.0000000 3548.0000000 823.5000000 237.7000000 78.6000000
78.6000000 29.0500000 11.6200000 3.4650000 1.2330000
0.2018000 0.0780500
0.0025090 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0189860 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0929140 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3359350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6473910 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1119370 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6559760 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2833490 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
141.5000000 33.2200000 10.3900000 3.5930000 3.5930000
1.2420000 0.3040000 0.0762900
0.0178820 0.0000000 0.0000000 0.0000000
0.1203750 0.0000000 0.0000000 0.0000000
0.4115800 0.0000000 0.0000000 0.0000000
0.5953530 0.0000000 0.0000000 0.0000000
0.0000000 0.2117580 0.0000000 0.0000000
0.0000000 0.8377950 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
SI:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
6 4
12 8
26740.0000000 4076.0000000 953.3000000 274.6000000 90.6800000
90.6800000 33.5300000 13.4600000 4.0510000 1.4840000
0.2704000 0.0993200
0.0025830 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192370 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0938430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3412350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6416750 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1214390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6531430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2776240 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
163.7000000 38.3500000 12.0200000 4.1850000 4.1850000
1.4830000 0.3350000 0.0969900
0.0114980 0.0000000 0.0000000 0.0000000
0.0777260 0.0000000 0.0000000 0.0000000
0.2635950 0.0000000 0.0000000 0.0000000
0.7582690 0.0000000 0.0000000 0.0000000
0.0000000 -1.1730450 0.0000000 0.0000000
0.0000000 1.4383350 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
P:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
6 4
12 8
30630.0000000 4684.0000000 1094.0000000 315.3000000 104.1000000
104.1000000 38.4200000 15.4500000 4.6560000 1.7590000
0.3409000 0.1238000
0.0026190 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0194790 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0952070 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3457420 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6362880 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1307060 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6502740 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2723080 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
187.7000000 43.6300000 13.6000000 4.7660000 4.7660000
1.7430000 0.4192000 0.1245000
0.0131580 0.0000000 0.0000000 0.0000000
0.0904940 0.0000000 0.0000000 0.0000000
0.3050540 0.0000000 0.0000000 0.0000000
0.7135790 0.0000000 0.0000000 0.0000000
0.0000000 -0.7925730 0.0000000 0.0000000
0.0000000 1.4299870 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
S:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
6 4
12 8
35710.0000000 5397.0000000 1250.0000000 359.9000000 119.2000000
119.2000000 43.9800000 17.6300000 5.4200000 2.0740000
0.4246000 0.1519000
0.0025650 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0194050 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0955950 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3457930 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6357940 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1300960 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6513010 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2719550 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
212.9000000 49.6000000 15.5200000 5.4760000 5.4760000
2.0440000 0.5218000 0.1506000
0.0140910 0.0000000 0.0000000 0.0000000
0.0966850 0.0000000 0.0000000 0.0000000
0.3238740 0.0000000 0.0000000 0.0000000
0.6917560 0.0000000 0.0000000 0.0000000
0.0000000 -0.6267370 0.0000000 0.0000000
0.0000000 1.3770510 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
CL:D95
SOSAD95 DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
6 4
12 8
40850.0000000 6179.0000000 1425.0000000 409.2000000 135.5000000
135.5000000 50.1300000 20.2100000 6.2830000 2.4600000
0.5271000 0.1884000
0.0025320 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192070 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0952570 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3455890 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6364010 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1209560 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6485110 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2754870 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
240.8000000 56.5600000 17.8500000 6.3500000 6.3500000
2.4030000 0.6410000 0.1838000
0.0145950 0.0000000 0.0000000 0.0000000
0.0990470 0.0000000 0.0000000 0.0000000
0.3305620 0.0000000 0.0000000 0.0000000
0.6828740 0.0000000 0.0000000 0.0000000
0.0000000 -0.5617850 0.0000000 0.0000000
0.0000000 1.3519010 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
H:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
2
0 1
2 1
4 1
19.2406000 2.8992000 0.6534000 0.1776000
0.0328280 0.0000000
0.2312080 0.0000000
0.8172380 0.0000000
0.0000000 1.0000000
1.0000000
1.0000000
LI:D95*
SOSA D95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
921.3000000 138.7000000 31.9400000 9.3530000 3.1580000
1.1570000 0.4446000 0.4446000 0.0766600
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.1607010 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 0.1694680 0.0000000 0.0000000
0.0000000 0.0000000 -0.2223110 0.0000000
0.0000000 0.0000000 0.0000000 1.1164770
0.0286400 1.4880000 0.2667000 0.0720100 0.0237000
0.0000000 0.0000000
0.0387700 0.0000000
0.2362570 0.0000000
0.8304480 0.0000000
0.0000000 1.0000000
0.0000000
1.0000000
BE:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
1741.0000000 262.1000000 60.3300000 17.6200000 5.9330000
2.1850000 0.8590000 2.1850000 0.1806000
0.0013050 0.0000000 0.0000000 0.0000000
0.0099550 0.0000000 0.0000000 0.0000000
0.0480310 0.0000000 0.0000000 0.0000000
0.1585770 0.0000000 0.0000000 0.0000000
0.3513250 0.0000000 0.0000000 0.0000000
0.4270060 0.0000000 0.0000000 0.0000000
0.0000000 0.1604900 0.0000000 0.0000000
0.0000000 0.0000000 -0.1852940 0.0000000
0.0000000 0.0000000 0.0000000 1.0570140
0.0583500 6.7100000 1.4420000 0.4103000 0.1397000
0.0000000 0.0000000
0.0163780 0.0000000
0.0915530 0.0000000
0.3414690 0.0000000
0.0000000 0.6854280
0.0000000
1.0000000
B:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
2788.4100000 419.0390000 96.4683000 28.0694000 9.3760000
1.3057000 3.4062000 0.3245000 0.1022000
0.0021220 0.0000000 0.0000000 0.0000000
0.0167100 0.0000000 0.0000000 0.0000000
0.0783560 0.0000000 0.0000000 0.0000000
0.2632500 0.0000000 0.0000000 0.0000000
0.5967290 0.0000000 0.0000000 0.0000000
0.2303970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
11.3413000 2.4360000 0.6836000 0.2134000 0.0701000
0.0179870 0.0000000
0.1103390 0.0000000
0.3831110 0.0000000
0.6478600 0.0000000
0.0000000 1.0000000
0.7000000
1.0000000
C:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
4232.6100000 634.8820000 146.0970000 42.4974000 14.1892000
1.9666000 5.1477000 0.4962000 0.1533000
0.0020290 0.0000000 0.0000000 0.0000000
0.0155350 0.0000000 0.0000000 0.0000000
0.0754110 0.0000000 0.0000000 0.0000000
0.2571210 0.0000000 0.0000000 0.0000000
0.5965550 0.0000000 0.0000000 0.0000000
0.2425170 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
18.1557000 3.9864000 1.1429000 0.3594000 0.1146000
0.0185340 0.0000000
0.1154420 0.0000000
0.3862060 0.0000000
0.6400890 0.0000000
0.0000000 1.0000000
0.7500000
1.0000000
N:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
5909.4400000 887.4510000 204.7900000 59.8376000 19.9981000
2.6860000 7.1927000 0.7000000 0.2133000
0.0020040 0.0000000 0.0000000 0.0000000
0.0153100 0.0000000 0.0000000 0.0000000
0.0742930 0.0000000 0.0000000 0.0000000
0.2533640 0.0000000 0.0000000 0.0000000
0.6005760 0.0000000 0.0000000 0.0000000
0.2451110 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
26.7860000 5.9564000 1.7074000 0.5314000 0.1654000
0.0182570 0.0000000
0.1164070 0.0000000
0.3901110 0.0000000
0.6372210 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
O:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
7816.5400000 1175.8200000 273.1880000 81.1696000 27.1836000
3.4136000 9.5322000 0.9398000 0.2846000
0.0020310 0.0000000 0.0000000 0.0000000
0.0154360 0.0000000 0.0000000 0.0000000
0.0737710 0.0000000 0.0000000 0.0000000
0.2476060 0.0000000 0.0000000 0.0000000
0.6118320 0.0000000 0.0000000 0.0000000
0.2412050 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
35.1832000 7.9040000 2.3051000 0.7171000 0.2137000
0.0195800 0.0000000
0.1241890 0.0000000
0.3947270 0.0000000
0.6273750 0.0000000
0.0000000 1.0000000
0.8500000
1.0000000
F:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
9994.7900000 1506.0300000 350.2690000 104.0530000 34.8432000
4.3688000 12.2164000 1.2078000 0.3634000
0.0020170 0.0000000 0.0000000 0.0000000
0.0152950 0.0000000 0.0000000 0.0000000
0.0731100 0.0000000 0.0000000 0.0000000
0.2464200 0.0000000 0.0000000 0.0000000
0.6125930 0.0000000 0.0000000 0.0000000
0.2424890 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.3555000 10.0820000 2.9959000 0.9383000 0.2733000
0.0208680 0.0000000
0.1300920 0.0000000
0.3962190 0.0000000
0.6203680 0.0000000
0.0000000 1.0000000
0.9000000
1.0000000
NE:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
4 2 1
9 5 1
12100.0000000 1821.0000000 432.8000000 132.5000000 43.7700000
14.9100000 5.1270000 14.9100000 1.4910000
0.0012000 0.0000000 0.0000000 0.0000000
0.0090920 0.0000000 0.0000000 0.0000000
0.0413050 0.0000000 0.0000000 0.0000000
0.1378670 0.0000000 0.0000000 0.0000000
0.3624330 0.0000000 0.0000000 0.0000000
0.4722470 0.0000000 0.0000000 0.0000000
0.0000000 0.1300350 0.0000000 0.0000000
0.0000000 0.0000000 -0.1408100 0.0000000
0.0000000 0.0000000 0.0000000 1.0533270
0.4468000 56.4500000 12.9200000 3.8650000 1.2030000
0.0000000 0.0000000
0.0208750 0.0000000
0.1300320 0.0000000
0.3956790 0.0000000
0.0000000 0.6214500
0.0000000
1.0000000
AL:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
6 4 1
12 8 1
23490.0000000 3548.0000000 823.5000000 237.7000000 78.6000000
78.6000000 29.0500000 11.6200000 3.4650000 1.2330000
0.2018000 0.0780500
0.0025090 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0189860 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0929140 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3359350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6473910 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1119370 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6559760 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2833490 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
141.5000000 33.2200000 10.3900000 3.5930000 3.5930000
1.2420000 0.3040000 0.0762900
0.0178820 0.0000000 0.0000000 0.0000000
0.1203750 0.0000000 0.0000000 0.0000000
0.4115800 0.0000000 0.0000000 0.0000000
0.5953530 0.0000000 0.0000000 0.0000000
0.0000000 0.2117580 0.0000000 0.0000000
0.0000000 0.8377950 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.2500000
1.0000000
SI:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
6 4 1
12 8 1
26740.0000000 4076.0000000 953.3000000 274.6000000 90.6800000
90.6800000 33.5300000 13.4600000 4.0510000 1.4840000
0.2704000 0.0993200
0.0025830 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192370 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0938430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3412350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6416750 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1214390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6531430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2776240 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
163.7000000 38.3500000 12.0200000 4.1850000 4.1850000
1.4830000 0.3350000 0.0969900
0.0114980 0.0000000 0.0000000 0.0000000
0.0777260 0.0000000 0.0000000 0.0000000
0.2635950 0.0000000 0.0000000 0.0000000
0.7582690 0.0000000 0.0000000 0.0000000
0.0000000 -1.1730450 0.0000000 0.0000000
0.0000000 1.4383350 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.3247000
1.0000000
P:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
6 4 1
12 8 1
30630.0000000 4684.0000000 1094.0000000 315.3000000 104.1000000
104.1000000 38.4200000 15.4500000 4.6560000 1.7590000
0.3409000 0.1238000
0.0026190 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0194790 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0952070 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3457420 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6362880 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1307060 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6502740 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2723080 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
187.7000000 43.6300000 13.6000000 4.7660000 4.7660000
1.7430000 0.4192000 0.1245000
0.0131580 0.0000000 0.0000000 0.0000000
0.0904940 0.0000000 0.0000000 0.0000000
0.3050540 0.0000000 0.0000000 0.0000000
0.7135790 0.0000000 0.0000000 0.0000000
0.0000000 -0.7925730 0.0000000 0.0000000
0.0000000 1.4299870 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.3700000
1.0000000
S:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
6 4 1
12 8 1
35710.0000000 5397.0000000 1250.0000000 359.9000000 119.2000000
119.2000000 43.9800000 17.6300000 5.4200000 2.0740000
0.4246000 0.1519000
0.0025650 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0194050 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0955950 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3457930 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6357940 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1300960 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6513010 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2719550 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
212.9000000 49.6000000 15.5200000 5.4760000 5.4760000
2.0440000 0.5218000 0.1506000
0.0140910 0.0000000 0.0000000 0.0000000
0.0966850 0.0000000 0.0000000 0.0000000
0.3238740 0.0000000 0.0000000 0.0000000
0.6917560 0.0000000 0.0000000 0.0000000
0.0000000 -0.6267370 0.0000000 0.0000000
0.0000000 1.3770510 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.5320000
1.0000000
CL:D95*
SOSAD95* DUNNING'S BASIS FROM GAUSSIAN-82
3
0 1 2
6 4 1
12 8 1
40850.0000000 6179.0000000 1425.0000000 409.2000000 135.5000000
135.5000000 50.1300000 20.2100000 6.2830000 2.4600000
0.5271000 0.1884000
0.0025320 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192070 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0952570 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3455890 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6364010 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1209560 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6485110 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2754870 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
240.8000000 56.5600000 17.8500000 6.3500000 6.3500000
2.4030000 0.6410000 0.1838000
0.0145950 0.0000000 0.0000000 0.0000000
0.0990470 0.0000000 0.0000000 0.0000000
0.3305620 0.0000000 0.0000000 0.0000000
0.6828740 0.0000000 0.0000000 0.0000000
0.0000000 -0.5617850 0.0000000 0.0000000
0.0000000 1.3519010 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.6000000
1.0000000
B:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2830 -24.526415H
2
0 1
4 2
9 5
2788.4100000 419.0390000 96.4683000 28.0694000 9.3760000
1.3057000 3.4062000 0.3245000 0.1022000
0.0021220 0.0000000 0.0000000 0.0000000
0.0161710 0.0000000 0.0000000 0.0000000
0.0783560 0.0000000 0.0000000 0.0000000
0.2632500 0.0000000 0.0000000 0.0000000
0.5967290 0.0000000 0.0000000 0.0000000
0.2303970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
11.3413000 2.4360000 0.6836000 0.2134000 0.0701000
0.0179870 0.0000000
0.1103390 0.0000000
0.3831110 0.0000000
0.6478600 0.0000000
0.0000000 1.0000000
BE:DZ
GDP Dunning & HAY P 23 MOD THEOR CHEM
2
0 1
4 2
9 5
1741.0000000 262.1000000 60.3300000 17.6200000 5.9330000
0.8590000 2.1850000 0.1806000 0.0583500
0.0013050 0.0000000 0.0000000 0.0000000
0.0099550 0.0000000 0.0000000 0.0000000
0.0480310 0.0000000 0.0000000 0.0000000
0.1585770 0.0000000 0.0000000 0.0000000
0.3513250 0.0000000 0.0000000 0.0000000
0.1604900 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
6.7100000 1.4420000 0.4103000 0.1397000 0.0492200
0.0163780 0.0000000
0.0915530 0.0000000
0.3414690 0.0000000
0.6854280 0.0000000
0.0000000 1.0000000
C:DZ
GDP Dunning DZ JCP 53,2830 4S2P
2
0 1
4 2
9 5
4232.6098633 634.8820190 146.0970001 42.4973984 14.1892004
1.9665999 5.1476998 0.4962000 0.1533000
0.0020290 0.0000000 0.0000000 0.0000000
0.0155350 0.0000000 0.0000000 0.0000000
0.0754110 0.0000000 0.0000000 0.0000000
0.2571210 0.0000000 0.0000000 0.0000000
0.5965550 0.0000000 0.0000000 0.0000000
0.2425170 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
18.1557007 3.9863999 1.1429000 0.3594000 0.1146000
0.0185340 0.0000000
0.1154420 0.0000000
0.3862060 0.0000000
0.6400890 0.0000000
0.0000000 1.0000000
C:DZP
GDP Dunning DZ JCP 53,2830 4S2P
3
0 1 2
4 2 1
9 5 1
4232.6098633 634.8820190 146.0970001 42.4973984 14.1892004
1.9665999 5.1476998 0.4962000 0.1533000
0.0020290 0.0000000 0.0000000 0.0000000
0.0155350 0.0000000 0.0000000 0.0000000
0.0754110 0.0000000 0.0000000 0.0000000
0.2571210 0.0000000 0.0000000 0.0000000
0.5965550 0.0000000 0.0000000 0.0000000
0.2425170 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
18.1557007 3.9863999 1.1429000 0.3594000 0.1146000
0.0185340 0.0000000
0.1154420 0.0000000
0.3862060 0.0000000
0.6400890 0.0000000
0.0000000 1.0000000
0.6540000
1.0000000
F:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2831 -99.395586H 2P
2
0 1
4 2
9 5
9994.7900000 1506.0300000 350.2690000 104.0530000 34.8432000
4.3688000 12.2164000 1.2078000 0.3634000
0.0020170 0.0000000 0.0000000 0.0000000
0.0152950 0.0000000 0.0000000 0.0000000
0.0731100 0.0000000 0.0000000 0.0000000
0.2464200 0.0000000 0.0000000 0.0000000
0.6125930 0.0000000 0.0000000 0.0000000
0.2424890 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.3555000 10.0820000 2.9959000 0.9383000 0.2733000
0.0208680 0.0000000
0.1300920 0.0000000
0.3962190 0.0000000
0.6203680 0.0000000
0.0000000 1.0000000
F:DZP
GDP Dunning DZ + D POL FIT TO JACS 101,2856
3
0 1 2
4 2 1
9 5 1
9994.7900391 1506.0300293 350.2690125 104.0530014 34.8432007
4.3688002 12.2164001 1.2078000 0.3634000
0.0020170 0.0000000 0.0000000 0.0000000
0.0152950 0.0000000 0.0000000 0.0000000
0.0731100 0.0000000 0.0000000 0.0000000
0.2464200 0.0000000 0.0000000 0.0000000
0.6125930 0.0000000 0.0000000 0.0000000
0.2424890 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.3554993 10.0819998 2.9958999 0.9383000 0.2733000
0.0208680 0.0000000
0.1300920 0.0000000
0.3962190 0.0000000
0.6203680 0.0000000
0.0000000 1.0000000
1.5800000
1.0000000
H:DZ
GDP Dunning SCALE 1.2 4S TO [2S] JCP 53,2831
1
0
2
4
19.2406000 2.8992000 0.6534000 0.1776000
0.0328280 0.0000000
0.2312080 0.0000000
0.8172380 0.0000000
0.0000000 1.0000000
H:DZP
GDP H:DZ/S + AVERAGE P FROM JACS 101,2859(1979)
2
0 1
2 1
4 1
19.2406000 2.8992000 0.6534000 0.1776000
0.0328280 0.0000000
0.2312080 0.0000000
0.8172380 0.0000000
0.0000000 1.0000000
0.7000000
1.0000000
HE:DZ
SAK Dunning DZ EXTRPL
1
0
4
8
921.2999878 138.6999969 31.9400005 3.1580000 1.1569999
0.4446000 0.0766600 0.0286400
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
LI:DZ
GDP Dunning & HAY MOD THEOR CHEM 9S4P TO 4S2P
2
0 1
4 2
9 4
921.3000000 138.7000000 31.9400000 9.3530000 3.1580000
1.1570000 0.4446000 0.0766600 0.0286400
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.1607010 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.4880000 0.2667000 0.0720100 0.0237000
0.0387700 0.0000000
0.2362570 0.0000000
0.8304480 0.0000000
0.0000000 1.0000000
N:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2830 -54.395336 4S
2
0 1
4 2
9 5
5909.4400000 887.4510000 204.7490000 59.8376000 19.9981000
2.6860000 7.1927000 0.7000000 0.2133000
0.0020040 0.0000000 0.0000000 0.0000000
0.0153100 0.0000000 0.0000000 0.0000000
0.0742930 0.0000000 0.0000000 0.0000000
0.2533640 0.0000000 0.0000000 0.0000000
0.6005760 0.0000000 0.0000000 0.0000000
0.2451110 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
26.7860000 5.9564000 1.7074000 0.5314000 0.1654000
0.0182570 0.0000000
0.1164070 0.0000000
0.3901110 0.0000000
0.6372210 0.0000000
0.0000000 1.0000000
N:DZP
GDP Dunning DZ + POLARIZATION JACS 101,2856(1979)
3
0 1 2
4 2 1
9 5 1
5909.4399414 887.4509888 204.7489929 59.8376007 19.9981003
2.6860001 7.1926999 0.7000000 0.2133000
0.0020040 0.0000000 0.0000000 0.0000000
0.0153100 0.0000000 0.0000000 0.0000000
0.0742930 0.0000000 0.0000000 0.0000000
0.2533640 0.0000000 0.0000000 0.0000000
0.6005760 0.0000000 0.0000000 0.0000000
0.2451110 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
26.7859993 5.9563999 1.7074000 0.5314000 0.1654000
0.0182570 0.0000000
0.1164070 0.0000000
0.3901110 0.0000000
0.6372210 0.0000000
0.0000000 1.0000000
0.9020001
1.0000000
O:DZ
GDP Dunning 9S5P TO 4S2P JCP 53,2831 -74.800289 3P
2
0 1
4 2
9 5
7816.5400000 1175.8200000 273.1880000 81.1696000 27.1836000
3.4136000 9.5322000 0.9398000 0.2846000
0.0020310 0.0000000 0.0000000 0.0000000
0.0154360 0.0000000 0.0000000 0.0000000
0.0737710 0.0000000 0.0000000 0.0000000
0.2476060 0.0000000 0.0000000 0.0000000
0.6118320 0.0000000 0.0000000 0.0000000
0.2412050 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
35.1832000 7.9040000 2.3051000 0.7171000 0.2137000
0.0195800 0.0000000
0.1241890 0.0000000
0.3947270 0.0000000
0.6273750 0.0000000
0.0000000 1.0000000
O:DZP
GFA Dunning PLUS LTR OPTIMIZED D-EXPONENTJACS,OP.CIT.
3
0 1 2
4 2 1
9 5 1
7816.5400000 1175.8200000 273.1880000 81.1696000 27.1836000
3.4136000 9.5322000 0.9398000 0.2846000
0.0020310 0.0000000 0.0000000 0.0000000
0.0154360 0.0000000 0.0000000 0.0000000
0.0737710 0.0000000 0.0000000 0.0000000
0.2476060 0.0000000 0.0000000 0.0000000
0.6118320 0.0000000 0.0000000 0.0000000
0.2412050 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
35.1832000 7.9040000 2.3051000 0.7171000 0.2137000
0.0195800 0.0000000
0.1241890 0.0000000
0.3947270 0.0000000
0.6273750 0.0000000
0.0000000 1.0000000
1.2110000
1.0000000
B:DZP
MU DUNNING DZ JCP 53,2823(1970)+D EXP=0.386,RPB, JACS
3
0 1 2
4 2 1
9 5 1
2788.4100000 419.0390000 96.4683000 28.0694000 9.3760000
1.3057000 3.4062000 0.3245000 0.1022000
0.0021220 0.0000000 0.0000000 0.0000000
0.0161710 0.0000000 0.0000000 0.0000000
0.0783560 0.0000000 0.0000000 0.0000000
0.2632500 0.0000000 0.0000000 0.0000000
0.5967290 0.0000000 0.0000000 0.0000000
0.2303970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
11.3413000 2.4360000 0.6836000 0.2134000 0.0701000
0.0179870 0.0000000
0.1103390 0.0000000
0.3831110 0.0000000
0.6478600 0.0000000
0.0000000 1.0000000
0.3860000
1.0000000
SI:DZ
GWT DUNNING AND HAY DZ
2
0 1
6 4
12 8
26740.0000000 4076.0000000 953.3000000 274.6000000 90.6800000
90.6800000 33.5300000 13.4600000 4.0510000 1.4840000
0.2704000 0.0993200
0.0025830 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192370 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0938430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3412350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6416750 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1214390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6531430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2776240 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
163.7000000 38.3500000 12.0200000 4.1850000 4.1850000
1.4830000 0.3350000 0.0969900
0.0114980 0.0000000 0.0000000 0.0000000
0.0777260 0.0000000 0.0000000 0.0000000
0.2635950 0.0000000 0.0000000 0.0000000
0.7582690 0.0000000 0.0000000 0.0000000
0.0000000 -1.1730450 0.0000000 0.0000000
0.0000000 1.4383350 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
SI:DZP
GWT DUNNING DZ PLUS HUZINAGA P
3
0 1 2
6 4 1
12 8 1
26740.0000000 4076.0000000 953.3000000 274.6000000 90.6800000
90.6800000 33.5300000 13.4600000 4.0510000 1.4840000
0.2704000 0.0993200
0.0025830 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0192370 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0938430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3412350 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.6416750 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1214390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6531430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2776240 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
163.7000000 38.3500000 12.0200000 4.1850000 4.1850000
1.4830000 0.3350000 0.0969900
0.0114980 0.0000000 0.0000000 0.0000000
0.0777260 0.0000000 0.0000000 0.0000000
0.2635950 0.0000000 0.0000000 0.0000000
0.7582690 0.0000000 0.0000000 0.0000000
0.0000000 -1.1730450 0.0000000 0.0000000
0.0000000 1.4383350 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.2800000
1.0000000
NA:DZ
GBF MCLEAN CHANDLER IBM REPORT RJ2665 1979
2
0 1
6 4
13 8
36166.4200000 5372.5800000 1213.2100000 339.6200000 109.5500000
38.7770000 38.7770000 14.5760000 5.2699000 1.8278000
0.6199000 0.0572000 0.0240000
0.0010320 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0080710 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0421290 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1697890 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5146180 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3798210 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3747610 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5757680 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1129350 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
146.3200000 34.1770000 10.5710000 3.6908000 1.3194000
0.4636000 0.0690000 0.0209000
0.0062790 0.0000000 0.0000000 0.0000000
0.0456060 0.0000000 0.0000000 0.0000000
0.1824940 0.0000000 0.0000000 0.0000000
0.4146240 0.0000000 0.0000000 0.0000000
0.5276630 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
LI:DZP
GBF LI DZ + D FUNCT ENERGY OPTIMIZED BY GBF
3
0 1 2
4 2 1
9 4 1
921.3000000 138.7000000 31.9400000 9.3530000 3.1580000
1.1570000 0.4446000 0.0766600 0.0286400
0.0013670 0.0000000 0.0000000 0.0000000
0.0104250 0.0000000 0.0000000 0.0000000
0.0498590 0.0000000 0.0000000 0.0000000
0.1607010 0.0000000 0.0000000 0.0000000
0.3446040 0.0000000 0.0000000 0.0000000
0.4251970 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.4880000 0.2667000 0.0720100 0.0237000
0.0387700 0.0000000
0.2362570 0.0000000
0.8304480 0.0000000
0.0000000 1.0000000
0.7000000
1.0000000
NA:DZP
GBF NA DZ + D FUNCTION ENERGY OPTIMIZED BY GBF
3
0 1 2
6 4 1
13 8 1
36166.4200000 5372.5800000 1213.2100000 339.6200000 109.5500000
38.7770000 38.7770000 14.5760000 5.2699000 1.8278000
0.6199000 0.0572000 0.0240000
0.0010320 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0080710 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0421290 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1697890 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5146180 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3798210 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3747610 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5757680 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1129350 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
146.3200000 34.1770000 10.5710000 3.6908000 1.3194000
0.4636000 0.0690000 0.0209000
0.0062790 0.0000000 0.0000000 0.0000000
0.0456060 0.0000000 0.0000000 0.0000000
0.1824940 0.0000000 0.0000000 0.0000000
0.4146240 0.0000000 0.0000000 0.0000000
0.5276630 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.9000000
1.0000000
N:TZ2P
JG DUNNING [5S3P] set with two d exponents (contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
13520.0000000 1999.0000000 440.0000000 120.9000000 38.4700000
13.4600000 13.4600000 4.9930000 1.5690000 0.5800000
0.1923000
0.0007600 0.0000000 0.0000000 0.0000000 0.0000000
0.0060760 0.0000000 0.0000000 0.0000000 0.0000000
0.0328470 0.0000000 0.0000000 0.0000000 0.0000000
0.1323960 0.0000000 0.0000000 0.0000000 0.0000000
0.3932610 0.0000000 0.0000000 0.0000000 0.0000000
0.5463390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2520360 0.0000000 0.0000000 0.0000000
0.0000000 0.7793850 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
35.9100000 8.4800000 2.7060000 0.9921000 0.3727000
0.1346000
0.0169160 0.0000000 0.0000000
0.1022000 0.0000000 0.0000000
0.3381340 0.0000000 0.0000000
0.6692810 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.1611000 0.6401000 0.5300000
0.3578510 0.0000000
0.7595610 0.0000000
0.0000000 1.0000000
O:TZ2P
JG Dunning [5S3P] set with two d exponent (contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
18050.0000000 2660.0000000 585.7000000 160.9000000 51.1600000
17.9000000 17.9000000 6.6390000 2.0770000 0.7736000
0.2558000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000
0.0060660 0.0000000 0.0000000 0.0000000 0.0000000
0.0327820 0.0000000 0.0000000 0.0000000 0.0000000
0.1326090 0.0000000 0.0000000 0.0000000 0.0000000
0.3968390 0.0000000 0.0000000 0.0000000 0.0000000
0.5425720 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2624900 0.0000000 0.0000000 0.0000000
0.0000000 0.7698280 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
49.8300000 11.4900000 3.6090000 1.3210000 0.4821000
0.1651000
0.0163580 0.0000000 0.0000000
0.1064530 0.0000000 0.0000000
0.3493020 0.0000000 0.0000000
0.6571830 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.8282000 0.8377000 0.6700000
0.3578510 0.0000000
0.7595610 0.0000000
0.0000000 1.0000000
C:TZ2P
JG DUNNING [5S3P] set with two d exponents (contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
9471.0000000 1398.0000000 307.5000000 84.5400000 26.9100000
9.4090000 9.4090000 3.5000000 1.0680000 0.4002000
0.1351000
0.0007760 0.0000000 0.0000000 0.0000000 0.0000000
0.0062180 0.0000000 0.0000000 0.0000000 0.0000000
0.0335750 0.0000000 0.0000000 0.0000000 0.0000000
0.1342780 0.0000000 0.0000000 0.0000000 0.0000000
0.3936680 0.0000000 0.0000000 0.0000000 0.0000000
0.5441690 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2480750 0.0000000 0.0000000 0.0000000
0.0000000 0.7828440 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
25.3700000 5.7760000 1.7870000 0.6577000 0.2480000
0.0910600
0.0162950 0.0000000 0.0000000
0.1020980 0.0000000 0.0000000
0.3402280 0.0000000 0.0000000
0.6682690 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.3751000 0.4073000 0.3400000
0.3578510 0.0000000
0.7595610 0.0000000
0.0000000 1.0000000
F:TZ2P
JG DUNNING [5S3P] set with two d exponents (not optimized)(contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
23340.0000000 3431.0000000 757.7000000 209.2000000 66.7000000
23.3700000 23.3700000 8.6240000 2.6920000 1.0090000
0.3312000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000
0.0060810 0.0000000 0.0000000 0.0000000 0.0000000
0.0326360 0.0000000 0.0000000 0.0000000 0.0000000
0.1317040 0.0000000 0.0000000 0.0000000 0.0000000
0.3962400 0.0000000 0.0000000 0.0000000 0.0000000
0.5436720 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2648930 0.0000000 0.0000000 0.0000000
0.0000000 0.7679250 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
65.6600000 15.2200000 4.7880000 1.7320000 0.6206000
0.2070000
0.0160370 0.0000000 0.0000000
0.1056970 0.0000000 0.0000000
0.3502270 0.0000000 0.0000000
0.6581950 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
3.5700000 1.0575000 0.7000000
0.3578510 0.0000000
0.7595610 0.0000000
0.0000000 1.0000000
B:TZ2P
JG DUNNING [5S3P] set with two d exponents (contraction 2, 1)
3
0 1 2
5 3 2
11 6 3
6250.0000000 916.1000000 202.2000000 55.8300000 17.8600000
6.2530000 6.2530000 2.3120000 0.6824000 0.2604000
0.0894000
0.0007980 0.0000000 0.0000000 0.0000000 0.0000000
0.0064100 0.0000000 0.0000000 0.0000000 0.0000000
0.0342990 0.0000000 0.0000000 0.0000000 0.0000000
0.1354870 0.0000000 0.0000000 0.0000000 0.0000000
0.3885320 0.0000000 0.0000000 0.0000000 0.0000000
0.5477580 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2326430 0.0000000 0.0000000 0.0000000
0.0000000 0.7972190 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
15.4600000 3.4830000 1.0660000 0.3928000 0.1503000
0.0572200
0.0168220 0.0000000 0.0000000
0.1008780 0.0000000 0.0000000
0.3368950 0.0000000 0.0000000
0.6723170 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.0414000 0.3085000 0.2950000
0.3578510 0.0000000
0.7595610 0.0000000
0.0000000 1.0000000
H:TZ2P
JG DUNNING [5S3P] set with two p exponents (contraction 2, 1)
2
0 1
3 2
5 3
74.6900000 11.2300000 2.5460000 0.7130000 0.2249000
0.0253740 0.0000000 0.0000000
0.1896840 0.0000000 0.0000000
0.8529330 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.2203000 0.2839000 0.2600000
0.3256400 0.0000000
0.7853860 0.0000000
0.0000000 1.0000000
CL:TZ2P
JFS EXTENDED MC (6421) BASIS W/ DIF. D AND STO-2G FIT TO MOST COMPACT D.
3
0 1 2
6 5 2
13 10 2
124.5380000 339.9100000 1030.8600000 3619.7000000 15872.0000000
105818.8000000 20.8060000 49.5140000 124.5380000 6.4648000
2.5254000 0.5378000 0.1935000
0.5812210 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3652300 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1180100 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0296760 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0057430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0007430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2901430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6228810 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1375480 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
6.5995000 16.6120000 44.7950000 139.8500000 589.7800000
6.5995000 2.7141000 0.9528000 0.3580000 0.1250000
0.7268110 0.0000000 0.0000000 0.0000000 0.0000000
0.2623150 0.0000000 0.0000000 0.0000000 0.0000000
0.0959160 0.0000000 0.0000000 0.0000000 0.0000000
0.0215360 0.0000000 0.0000000 0.0000000 0.0000000
0.0027600 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 -1.5649240 0.0000000 0.0000000 0.0000000
0.0000000 1.4957780 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
1.0720000 0.3570000
1.0000000 0.0000000
0.0000000 1.0000000
B:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
4570.0000000 685.9000000 156.5000000 44.4700000 14.4800000
5.1310000 1.8980000 0.3329000 0.1043000
0.0006960 -0.0001390 0.0000000
0.0053530 -0.0010970 0.0000000
0.0271340 -0.0054440 0.0000000
0.1013800 -0.0219160 0.0000000
0.2720550 -0.0597510 0.0000000
0.4484030 -0.1387320 0.0000000
0.2901230 -0.1314820 0.0000000
0.0143220 0.5395260 0.0000000
-0.0034860 0.5807740 1.0000000
6.0010000 1.2410000 0.3364000 0.0953800
0.0354810 0.0000000
0.1980720 0.0000000
0.5052300 0.0000000
0.4794990 1.0000000
0.3430000
1.0000000
B:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
5473.0000000 820.9000000 186.8000000 52.8300000 17.0800000
5.9990000 2.2080000 0.5879000 0.2415000 0.0861000
0.0005550 -0.0001120 0.0000000 0.0000000
0.0042910 -0.0008680 0.0000000 0.0000000
0.0219490 -0.0044840 0.0000000 0.0000000
0.0844410 -0.0176830 0.0000000 0.0000000
0.2385570 -0.0536390 0.0000000 0.0000000
0.4350720 -0.1190050 0.0000000 0.0000000
0.3419550 -0.1658240 0.0000000 0.0000000
0.0368560 0.1201070 1.0000000 0.0000000
-0.0095450 0.5959810 0.0000000 0.0000000
0.0023680 0.4110210 0.0000000 1.0000000
12.0500000 2.6130000 0.7475000 0.2385000 0.0769800
0.0131180 0.0000000 0.0000000
0.0798960 0.0000000 0.0000000
0.2772750 0.0000000 0.0000000
0.5042700 1.0000000 0.0000000
0.3536800 0.0000000 1.0000000
0.6610000 0.1990000
1.0000000 0.0000000
0.0000000 1.0000000
0.4900000
1.0000000
B:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
23870.0000000 3575.0000000 812.8000000 229.7000000 74.6900000
26.8100000 10.3200000 4.1780000 1.7270000 0.4704000
0.1896000 0.0739400
0.0000880 -0.0000180 0.0000000 0.0000000 0.0000000
0.0006870 -0.0001390 0.0000000 0.0000000 0.0000000
0.0036000 -0.0007250 0.0000000 0.0000000 0.0000000
0.0149490 -0.0030630 0.0000000 0.0000000 0.0000000
0.0514350 -0.0105810 0.0000000 0.0000000 0.0000000
0.1433020 -0.0313650 0.0000000 0.0000000 0.0000000
0.3009350 -0.0710120 0.0000000 0.0000000 0.0000000
0.4035260 -0.1321030 0.0000000 0.0000000 0.0000000
0.2253400 -0.1230720 0.0000000 0.0000000 0.0000000
0.0154070 0.2618190 1.0000000 0.0000000 0.0000000
-0.0039550 0.5866620 0.0000000 1.0000000 0.0000000
0.0011240 0.2904940 0.0000000 0.0000000 1.0000000
22.2600000 5.0580000 1.4870000 0.5071000 0.1812000
0.0646300
0.0050950 0.0000000 0.0000000 0.0000000
0.0332060 0.0000000 0.0000000 0.0000000
0.1323140 0.0000000 0.0000000 0.0000000
0.3318180 1.0000000 0.0000000 0.0000000
0.4720630 0.0000000 1.0000000 0.0000000
0.2579790 0.0000000 0.0000000 1.0000000
1.1100000 0.4020000 0.1450000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.8820000 0.3110000
1.0000000 0.0000000
0.0000000 1.0000000
0.6730000
1.0000000
C:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
6665.0000000 1000.0000000 228.0000000 64.7100000 21.0600000
7.4950000 2.7970000 0.5215000 0.1596000
0.0006920 -0.0001460 0.0000000
0.0053290 -0.0011540 0.0000000
0.0270770 -0.0057250 0.0000000
0.1017180 -0.0233120 0.0000000
0.2747400 -0.0639550 0.0000000
0.4485640 -0.1499810 0.0000000
0.2850740 -0.1272620 0.0000000
0.0152040 0.5445290 0.0000000
-0.0031910 0.5804960 1.0000000
9.4390000 2.0020000 0.5456000 0.1517000
0.0381090 0.0000000
0.2094800 0.0000000
0.5085570 0.0000000
0.4688420 1.0000000
0.5500000
1.0000000
C:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
8236.0000000 1235.0000000 280.8000000 79.2700000 25.5900000
8.9970000 3.3190000 0.9059000 0.3643000 0.1285000
0.0005310 -0.0001130 0.0000000 0.0000000
0.0041080 -0.0008780 0.0000000 0.0000000
0.0210870 -0.0045400 0.0000000 0.0000000
0.0818530 -0.0181330 0.0000000 0.0000000
0.2348170 -0.0557600 0.0000000 0.0000000
0.4344010 -0.1268950 0.0000000 0.0000000
0.3461290 -0.1703520 0.0000000 0.0000000
0.0393780 0.1403820 1.0000000 0.0000000
-0.0089830 0.5986840 0.0000000 0.0000000
0.0023850 0.3953890 0.0000000 1.0000000
18.7100000 4.1330000 1.2000000 0.3827000 0.1209000
0.0140310 0.0000000 0.0000000
0.0868660 0.0000000 0.0000000
0.2902160 0.0000000 0.0000000
0.5010080 1.0000000 0.0000000
0.3434060 0.0000000 1.0000000
1.0970000 0.3180000
1.0000000 0.0000000
0.0000000 1.0000000
0.7610000
1.0000000
C:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
33980.0000000 5089.0000000 1157.0000000 326.6000000 106.1000000
38.1100000 14.7500000 6.0350000 2.5300000 0.7355000
0.2905000 0.1111000
0.0000910 -0.0000190 0.0000000 0.0000000 0.0000000
0.0007040 -0.0001510 0.0000000 0.0000000 0.0000000
0.0036930 -0.0007850 0.0000000 0.0000000 0.0000000
0.0153600 -0.0033240 0.0000000 0.0000000 0.0000000
0.0529290 -0.0115120 0.0000000 0.0000000 0.0000000
0.1470430 -0.0341600 0.0000000 0.0000000 0.0000000
0.3056310 -0.0771730 0.0000000 0.0000000 0.0000000
0.3993450 -0.1414930 0.0000000 0.0000000 0.0000000
0.2170510 -0.1180190 0.0000000 0.0000000 0.0000000
0.0158940 0.2738060 1.0000000 0.0000000 0.0000000
-0.0030840 0.5865100 0.0000000 1.0000000 0.0000000
0.0009780 0.2854300 0.0000000 0.0000000 1.0000000
34.5100000 7.9150000 2.3680000 0.8132000 0.2890000
0.1007000
0.0053780 0.0000000 0.0000000 0.0000000
0.0361320 0.0000000 0.0000000 0.0000000
0.1424930 0.0000000 0.0000000 0.0000000
0.3421500 1.0000000 0.0000000 0.0000000
0.4638640 0.0000000 1.0000000 0.0000000
0.2500280 0.0000000 0.0000000 1.0000000
1.8480000 0.6490000 0.2280000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.4190000 0.4850000
1.0000000 0.0000000
0.0000000 1.0000000
1.0110000
1.0000000
C:AUG-PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
33980.0000000 5089.0000000 1157.0000000 326.6000000 106.1000000
38.1100000 14.7500000 6.0350000 2.5300000 0.7355000
0.2905000 0.1111000 0.041450
0.0000910 -0.0000190 0.0000000 0.0000000 0.0000000
0.0007040 -0.0001510 0.0000000 0.0000000 0.0000000
0.0036930 -0.0007850 0.0000000 0.0000000 0.0000000
0.0153600 -0.0033240 0.0000000 0.0000000 0.0000000
0.0529290 -0.0115120 0.0000000 0.0000000 0.0000000
0.1470430 -0.0341600 0.0000000 0.0000000 0.0000000
0.3056310 -0.0771730 0.0000000 0.0000000 0.0000000
0.3993450 -0.1414930 0.0000000 0.0000000 0.0000000
0.2170510 -0.1180190 0.0000000 0.0000000 0.0000000
0.0158940 0.2738060 1.0000000 0.0000000 0.0000000
-0.0030840 0.5865100 0.0000000 1.0000000 0.0000000
0.0009780 0.2854300 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
34.5100000 7.9150000 2.3680000 0.8132000 0.2890000
0.1007000 0.032180
0.0053780 0.0000000 0.0000000 0.0000000
0.0361320 0.0000000 0.0000000 0.0000000
0.1424930 0.0000000 0.0000000 0.0000000
0.3421500 1.0000000 0.0000000 0.0000000
0.4638640 0.0000000 1.0000000 0.0000000
0.2500280 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
1.8480000 0.6490000 0.2280000 0.076600
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.4190000 0.4850000 0.18700
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.0110000 0.424000
1.0000000
0.0000000 1.0000000
N:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
9046.0000000 1357.0000000 309.3000000 87.7300000 28.5600000
10.2100000 3.8380000 0.7466000 0.2248000
0.0007000 -0.0001530 0.0000000
0.0053890 -0.0012080 0.0000000
0.0274060 -0.0059920 0.0000000
0.1032070 -0.0245440 0.0000000
0.2787230 -0.0674590 0.0000000
0.4485400 -0.1580780 0.0000000
0.2782380 -0.1218310 0.0000000
0.0154400 0.5490030 0.0000000
-0.0028640 0.5788150 1.0000000
13.5500000 2.9170000 0.7973000 0.2185000
0.0399190 0.0000000
0.2171690 0.0000000
0.5103190 0.0000000
0.4622140 1.0000000
0.8170000
1.0000000
N:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
11420.0000000 1712.0000000 389.3000000 110.0000000 35.5700000
12.5400000 4.6440000 1.2930000 0.5118000 0.1787000
0.0005230 -0.0001150 0.0000000 0.0000000
0.0040450 -0.0008950 0.0000000 0.0000000
0.0207750 -0.0046240 0.0000000 0.0000000
0.0807270 -0.0185280 0.0000000 0.0000000
0.2330740 -0.0573390 0.0000000 0.0000000
0.4335010 -0.1320760 0.0000000 0.0000000
0.3474720 -0.1725100 0.0000000 0.0000000
0.0412620 0.1518140 1.0000000 0.0000000
-0.0085080 0.5999440 0.0000000 0.0000000
0.0023840 0.3874620 0.0000000 1.0000000
26.6300000 5.9480000 1.7420000 0.5550000 0.1725000
0.0146700 0.0000000 0.0000000
0.0917640 0.0000000 0.0000000
0.2986830 0.0000000 0.0000000
0.4984870 1.0000000 0.0000000
0.3370230 0.0000000 1.0000000
1.6540000 0.4690000
1.0000000 0.0000000
0.0000000 1.0000000
1.0930000
1.0000000
N:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
45840.0000000 6868.0000000 1563.0000000 442.4000000 144.3000000
52.1800000 20.3400000 8.3810000 3.5290000 1.0540000
0.4118000 0.1552000
0.0000920 -0.0000200 0.0000000 0.0000000 0.0000000
0.0007170 -0.0001590 0.0000000 0.0000000 0.0000000
0.0037490 -0.0008240 0.0000000 0.0000000 0.0000000
0.0155320 -0.0034780 0.0000000 0.0000000 0.0000000
0.0531460 -0.0119660 0.0000000 0.0000000 0.0000000
0.1467870 -0.0353880 0.0000000 0.0000000 0.0000000
0.3046630 -0.0800770 0.0000000 0.0000000 0.0000000
0.3976840 -0.1467220 0.0000000 0.0000000 0.0000000
0.2176410 -0.1163600 0.0000000 0.0000000 0.0000000
0.0169630 0.2799190 1.0000000 0.0000000 0.0000000
-0.0027450 0.5854810 0.0000000 1.0000000 0.0000000
0.0009530 0.2840280 0.0000000 0.0000000 1.0000000
49.3300000 11.3700000 3.4350000 1.1820000 0.4173000
0.1428000
0.0055330 0.0000000 0.0000000 0.0000000
0.0379620 0.0000000 0.0000000 0.0000000
0.1490280 0.0000000 0.0000000 0.0000000
0.3489220 1.0000000 0.0000000 0.0000000
0.4589720 0.0000000 1.0000000 0.0000000
0.2449230 0.0000000 0.0000000 1.0000000
2.8370000 0.9680000 0.3350000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.0270000 0.6850000
1.0000000 0.0000000
0.0000000 1.0000000
1.4270000
1.0000000
N:AUG-PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
45840.0000000 6868.0000000 1563.0000000 442.4000000 144.3000000
52.1800000 20.3400000 8.3810000 3.5290000 1.0540000
0.4118000 0.1552000 0.054640
0.0000920 -0.0000200 0.0000000 0.0000000 0.0000000
0.0007170 -0.0001590 0.0000000 0.0000000 0.0000000
0.0037490 -0.0008240 0.0000000 0.0000000 0.0000000
0.0155320 -0.0034780 0.0000000 0.0000000 0.0000000
0.0531460 -0.0119660 0.0000000 0.0000000 0.0000000
0.1467870 -0.0353880 0.0000000 0.0000000 0.0000000
0.3046630 -0.0800770 0.0000000 0.0000000 0.0000000
0.3976840 -0.1467220 0.0000000 0.0000000 0.0000000
0.2176410 -0.1163600 0.0000000 0.0000000 0.0000000
0.0169630 0.2799190 1.0000000 0.0000000 0.0000000
-0.0027450 0.5854810 0.0000000 1.0000000 0.0000000
0.0009530 0.2840280 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
49.3300000 11.3700000 3.4350000 1.1820000 0.4173000
0.1428000 0.04402
0.0055330 0.0000000 0.0000000 0.0000000
0.0379620 0.0000000 0.0000000 0.0000000
0.1490280 0.0000000 0.0000000 0.0000000
0.3489220 1.0000000 0.0000000 0.0000000
0.4589720 0.0000000 1.0000000 0.0000000
0.2449230 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
2.8370000 0.9680000 0.3350000 0.111000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
2.0270000 0.6850000 0.245000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.4270000 0.55900
1.0000000
0.0000000 1.0000000
O:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
11720.0000000 1759.0000000 400.8000000 113.7000000 37.0300000
13.2700000 5.0250000 1.0130000 0.3023000
0.0007100 -0.0001600 0.0000000
0.0054700 -0.0012630 0.0000000
0.0278370 -0.0062670 0.0000000
0.1048000 -0.0257160 0.0000000
0.2830620 -0.0709240 0.0000000
0.4487190 -0.1654110 0.0000000
0.2709520 -0.1169550 0.0000000
0.0154580 0.5573680 0.0000000
-0.0025850 0.5727590 1.0000000
17.7000000 3.8540000 1.0460000 0.2753000
0.0430180 0.0000000
0.2289130 0.0000000
0.5087280 0.0000000
0.4605310 1.0000000
1.1850000
1.0000000
O:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
15330.0000000 2299.0000000 522.4000000 147.3000000 47.5500000
16.7600000 6.2070000 1.7520000 0.6882000 0.2384000
0.0005080 -0.0001150 0.0000000 0.0000000
0.0039290 -0.0008950 0.0000000 0.0000000
0.0202430 -0.0046360 0.0000000 0.0000000
0.0791810 -0.0187240 0.0000000 0.0000000
0.2306870 -0.0584630 0.0000000 0.0000000
0.4331180 -0.1364630 0.0000000 0.0000000
0.3502600 -0.1757400 0.0000000 0.0000000
0.0427280 0.1609340 1.0000000 0.0000000
-0.0081540 0.6034180 0.0000000 0.0000000
0.0023810 0.3787650 0.0000000 1.0000000
34.4600000 7.7490000 2.2800000 0.7156000 0.2140000
0.0159280 0.0000000 0.0000000
0.0997400 0.0000000 0.0000000
0.3104920 0.0000000 0.0000000
0.4910260 1.0000000 0.0000000
0.3363370 0.0000000 1.0000000
2.3140000 0.6450000
1.0000000 0.0000000
0.0000000 1.0000000
1.4280000
1.0000000
O:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
61420.0000000 9199.0000000 2091.0000000 590.9000000 192.3000000
69.3200000 26.9700000 11.1000000 4.6820000 1.4280000
0.5547000 0.2067000
0.0000900 -0.0000200 0.0000000 0.0000000 0.0000000
0.0006980 -0.0001590 0.0000000 0.0000000 0.0000000
0.0036640 -0.0008290 0.0000000 0.0000000 0.0000000
0.0152180 -0.0035080 0.0000000 0.0000000 0.0000000
0.0524230 -0.0121560 0.0000000 0.0000000 0.0000000
0.1459210 -0.0362610 0.0000000 0.0000000 0.0000000
0.3052580 -0.0829920 0.0000000 0.0000000 0.0000000
0.3985080 -0.1520900 0.0000000 0.0000000 0.0000000
0.2169800 -0.1153310 0.0000000 0.0000000 0.0000000
0.0175940 0.2889790 1.0000000 0.0000000 0.0000000
-0.0025020 0.5861280 0.0000000 1.0000000 0.0000000
0.0009540 0.2776240 0.0000000 0.0000000 1.0000000
63.4200000 14.6600000 4.4590000 1.5310000 0.5302000
0.1750000
0.0060440 0.0000000 0.0000000 0.0000000
0.0417990 0.0000000 0.0000000 0.0000000
0.1611430 0.0000000 0.0000000 0.0000000
0.3567310 1.0000000 0.0000000 0.0000000
0.4483090 0.0000000 1.0000000 0.0000000
0.2449400 0.0000000 0.0000000 1.0000000
3.7750000 1.3000000 0.4440000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.6660000 0.8590000
1.0000000 0.0000000
0.0000000 1.0000000
1.8460000
1.0000000
O:AUG-PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
61420.0000000 9199.0000000 2091.0000000 590.9000000 192.3000000
69.3200000 26.9700000 11.1000000 4.6820000 1.4280000
0.5547000 0.2067000 0.069590
0.0000900 -0.0000200 0.0000000 0.0000000 0.0000000
0.0006980 -0.0001590 0.0000000 0.0000000 0.0000000
0.0036640 -0.0008290 0.0000000 0.0000000 0.0000000
0.0152180 -0.0035080 0.0000000 0.0000000 0.0000000
0.0524230 -0.0121560 0.0000000 0.0000000 0.0000000
0.1459210 -0.0362610 0.0000000 0.0000000 0.0000000
0.3052580 -0.0829920 0.0000000 0.0000000 0.0000000
0.3985080 -0.1520900 0.0000000 0.0000000 0.0000000
0.2169800 -0.1153310 0.0000000 0.0000000 0.0000000
0.0175940 0.2889790 1.0000000 0.0000000 0.0000000
-0.0025020 0.5861280 0.0000000 1.0000000 0.0000000
0.0009540 0.2776240 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
63.4200000 14.6600000 4.4590000 1.5310000 0.5302000
0.1750000 0.05348
0.0060440 0.0000000 0.0000000 0.0000000
0.0417990 0.0000000 0.0000000 0.0000000
0.1611430 0.0000000 0.0000000 0.0000000
0.3567310 1.0000000 0.0000000 0.0000000
0.4483090 0.0000000 1.0000000 0.0000000
0.2449400 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
3.7750000 1.3000000 0.4440000 0.154000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
2.6660000 0.8590000 0.324000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.8460000 0.71400
1.0000000
0.0000000 1.0000000
F:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
14710.0000000 2207.0000000 502.8000000 142.6000000 46.4700000
16.7000000 6.3560000 1.3160000 0.3897000
0.0007210 -0.0001650 0.0000000
0.0055530 -0.0013080 0.0000000
0.0282670 -0.0064950 0.0000000
0.1064440 -0.0266910 0.0000000
0.2868140 -0.0736900 0.0000000
0.4486410 -0.1707760 0.0000000
0.2647610 -0.1123270 0.0000000
0.0153330 0.5628140 0.0000000
-0.0023320 0.5687780 1.0000000
22.6700000 4.9770000 1.3470000 0.3471000
0.0448780 0.0000000
0.2357180 0.0000000
0.5085210 0.0000000
0.4581200 1.0000000
1.6400000
1.0000000
F:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
19500.0000000 2923.0000000 664.5000000 187.5000000 60.6200000
21.4200000 7.9500000 2.2570000 0.8815000 0.3041000
0.0005070 -0.0001170 0.0000000 0.0000000
0.0039230 -0.0009120 0.0000000 0.0000000
0.0202000 -0.0047170 0.0000000 0.0000000
0.0790100 -0.0190860 0.0000000 0.0000000
0.2304390 -0.0596550 0.0000000 0.0000000
0.4328720 -0.1400100 0.0000000 0.0000000
0.3499640 -0.1767820 0.0000000 0.0000000
0.0432330 0.1716250 1.0000000 0.0000000
-0.0078920 0.6050430 0.0000000 0.0000000
0.0023840 0.3695120 0.0000000 1.0000000
43.8800000 9.9260000 2.9300000 0.9132000 0.2672000
0.0166650 0.0000000 0.0000000
0.1044720 0.0000000 0.0000000
0.3172600 0.0000000 0.0000000
0.4873430 1.0000000 0.0000000
0.3346040 0.0000000 1.0000000
3.1070000 0.8550000
1.0000000 0.0000000
0.0000000 1.0000000
1.9170000
1.0000000
F:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
74530.0000000 11170.0000000 2543.0000000 721.0000000 235.9000000
85.6000000 33.5500000 13.9300000 5.9150000 1.8430000
0.7124000 0.2637000
0.0000950 -0.0000220 0.0000000 0.0000000 0.0000000
0.0007380 -0.0001720 0.0000000 0.0000000 0.0000000
0.0038580 -0.0008910 0.0000000 0.0000000 0.0000000
0.0159260 -0.0037480 0.0000000 0.0000000 0.0000000
0.0542890 -0.0128620 0.0000000 0.0000000 0.0000000
0.1495130 -0.0380610 0.0000000 0.0000000 0.0000000
0.3082520 -0.0862390 0.0000000 0.0000000 0.0000000
0.3948530 -0.1558650 0.0000000 0.0000000 0.0000000
0.2110310 -0.1109140 0.0000000 0.0000000 0.0000000
0.0171510 0.2987610 1.0000000 0.0000000 0.0000000
-0.0020150 0.5850130 0.0000000 1.0000000 0.0000000
0.0008690 0.2711590 0.0000000 0.0000000 1.0000000
80.3900000 18.6300000 5.6940000 1.9530000 0.6702000
0.2166000
0.0063470 0.0000000 0.0000000 0.0000000
0.0442040 0.0000000 0.0000000 0.0000000
0.1685140 0.0000000 0.0000000 0.0000000
0.3615630 1.0000000 0.0000000 0.0000000
0.4421780 0.0000000 1.0000000 0.0000000
0.2434350 0.0000000 0.0000000 1.0000000
5.0140000 1.7250000 0.5860000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
3.5620000 1.1480000
1.0000000 0.0000000
0.0000000 1.0000000
2.3760000
1.0000000
F:AUG-PVQZ
JFS AUGMENTED DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
74530.0000000 11170.0000000 2543.0000000 721.0000000 235.9000000
85.6000000 33.5500000 13.9300000 5.9150000 1.8430000
0.7124000 0.2637000 0.085940
0.0000950 -0.0000220 0.0000000 0.0000000 0.0000000
0.0007380 -0.0001720 0.0000000 0.0000000 0.0000000
0.0038580 -0.0008910 0.0000000 0.0000000 0.0000000
0.0159260 -0.0037480 0.0000000 0.0000000 0.0000000
0.0542890 -0.0128620 0.0000000 0.0000000 0.0000000
0.1495130 -0.0380610 0.0000000 0.0000000 0.0000000
0.3082520 -0.0862390 0.0000000 0.0000000 0.0000000
0.3948530 -0.1558650 0.0000000 0.0000000 0.0000000
0.2110310 -0.1109140 0.0000000 0.0000000 0.0000000
0.0171510 0.2987610 1.0000000 0.0000000 0.0000000
-0.0020150 0.5850130 0.0000000 1.0000000 0.0000000
0.0008690 0.2711590 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
80.3900000 18.6300000 5.6940000 1.9530000 0.6702000
0.2166000 0.065680
0.0063470 0.0000000 0.0000000 0.0000000
0.0442040 0.0000000 0.0000000 0.0000000
0.1685140 0.0000000 0.0000000 0.0000000
0.3615630 1.0000000 0.0000000 0.0000000
0.4421780 0.0000000 1.0000000 0.0000000
0.2434350 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
5.0140000 1.7250000 0.5860000 0.207000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
3.5620000 1.1480000 0.460000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
2.3760000 0.92400
1.0000000
0.0000000 1.0000000
H:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
2
0 1
2 1
4 1
13.0100000 1.9620000 0.4446000 0.1220000
0.0196850 0.0000000
0.1379770 0.0000000
0.4781480 0.0000000
0.5012400 1.0000000
0.7270000
1.0000000
H:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
5 2 1
33.8700000 5.0950000 1.1590000 0.3258000 0.1027000
0.0060680 0.0000000 0.0000000
0.0453080 0.0000000 0.0000000
0.2028220 0.0000000 0.0000000
0.5039030 1.0000000 0.0000000
0.3834210 0.0000000 1.0000000
1.4070000 0.3880000
1.0000000 0.0000000
0.0000000 1.0000000
1.0570000
1.0000000
H:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
6 3 2 1
82.6400000 12.4100000 2.8240000 0.7977000 0.2581000
0.0898900
0.0020060 0.0000000 0.0000000 0.0000000
0.0153430 0.0000000 0.0000000 0.0000000
0.0755790 0.0000000 0.0000000 0.0000000
0.2568750 1.0000000 0.0000000 0.0000000
0.4973680 0.0000000 1.0000000 0.0000000
0.2961330 0.0000000 0.0000000 1.0000000
2.2920000 0.8380000 0.2920000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.0620000 0.6620000
1.0000000 0.0000000
0.0000000 1.0000000
1.3970000
1.0000000
H:AUG-PVQZ
JFS AUGMENTED DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 3 2
7 4 3 2
82.6400000 12.4100000 2.8240000 0.7977000 0.2581000
0.0898900 0.023630
0.0020060 0.0000000 0.0000000 0.0000000
0.0153430 0.0000000 0.0000000 0.0000000
0.0755790 0.0000000 0.0000000 0.0000000
0.2568750 1.0000000 0.0000000 0.0000000
0.4973680 0.0000000 1.0000000 0.0000000
0.2961330 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
2.2920000 0.8380000 0.2920000 0.084800
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
2.0620000 0.6620000 0.190000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.3970000 0.360000
1.0000000
0.0000000 1.0000000
O:PVQZgrad
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
12
0 0 0 1 1 1 2 2 2 3 3 4
1 1 3 1 2 1 1 1 1 1 1 1
12 12 3 6 2 1 1 1 1 1 1 1
61420.0000000 9199.0000000 2091.0000000 590.9000000 192.3000000
69.3200000 26.9700000 11.1000000 4.6820000 1.4280000
0.5547000 0.2067000
0.0000900 -0.0000200 0.0000000 0.0000000 0.0000000
0.0006980 -0.0001590 0.0000000 0.0000000 0.0000000
0.0036640 -0.0008290 0.0000000 0.0000000 0.0000000
0.0152180 -0.0035080 0.0000000 0.0000000 0.0000000
0.0524230 -0.0121560 0.0000000 0.0000000 0.0000000
0.1459210 -0.0362610 0.0000000 0.0000000 0.0000000
0.3052580 -0.0829920 0.0000000 0.0000000 0.0000000
0.3985080 -0.1520900 0.0000000 0.0000000 0.0000000
0.2169800 -0.1153310 0.0000000 0.0000000 0.0000000
0.0175940 0.2889790 1.0000000 0.0000000 0.0000000
-0.0025020 0.5861280 0.0000000 1.0000000 0.0000000
0.0009540 0.2776240 0.0000000 0.0000000 1.0000000
61420.0000000 9199.0000000 2091.0000000 590.9000000 192.3000000
69.3200000 26.9700000 11.1000000 4.6820000 1.4280000
0.5547000 0.2067000
-0.0000200 0.0000000 0.0000000 0.0000000
-0.0001590 0.0000000 0.0000000 0.0000000
-0.0008290 0.0000000 0.0000000 0.0000000
-0.0035080 0.0000000 0.0000000 0.0000000
-0.0121560 0.0000000 0.0000000 0.0000000
-0.0362610 0.0000000 0.0000000 0.0000000
-0.0829920 0.0000000 0.0000000 0.0000000
-0.1520900 0.0000000 0.0000000 0.0000000
-0.1153310 0.0000000 0.0000000 0.0000000
0.2889790 1.0000000 0.0000000 0.0000000
0.5861280 0.0000000 1.0000000 0.0000000
0.2776240 0.0000000 0.0000000 1.0000000
1.4280000 0.5547000 0.2067000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
63.4200000 14.6600000 4.4590000 1.5310000 0.5302000
0.1750000
0.0060440 0.0000000 0.0000000 0.0000000
0.0417990 0.0000000 0.0000000 0.0000000
0.1611430 0.0000000 0.0000000 0.0000000
0.3567310 1.0000000 0.0000000 0.0000000
0.4483090 0.0000000 1.0000000 0.0000000
0.2449400 0.0000000 0.0000000 1.0000000
1.5310000 0.5302000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.1750000
1.0000000 0.0000000 0.0000000
3.7750000
1.0000000 0.0000000 0.0000000
1.3000000
1.0000000 0.0000000 0.0000000
0.4440000
1.0000000 0.0000000 0.0000000
2.6660000
1.0000000 0.0000000
0.8590000
1.0000000 0.0000000
1.8460000
1.0000000
H:PVQZgrad
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
7
0 0 1 1 2 2 3
1 3 2 1 1 1 1
6 3 2 1 1 1 1
82.6400000 12.4100000 2.8240000 0.7977000 0.2581000
0.0898900
0.0020060 0.0000000 0.0000000 0.0000000
0.0153430 0.0000000 0.0000000 0.0000000
0.0755790 0.0000000 0.0000000 0.0000000
0.2568750 1.0000000 0.0000000 0.0000000
0.4973680 0.0000000 1.0000000 0.0000000
0.2961330 0.0000000 0.0000000 1.0000000
0.7977000 0.2581000 0.0898900
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.2920000 0.8380000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.2920000
1.0000000 0.0000000 0.0000000
2.0620000
1.0000000 0.0000000
0.6620000
1.0000000 0.0000000
1.3970000
1.0000000
B:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
4570.0000000 685.9000000 156.5000000 44.4700000 14.4800000
5.1310000 1.8980000 0.3329000 0.1043000
0.0006960 -0.0001390 0.0000000
0.0053530 -0.0010970 0.0000000
0.0271340 -0.0054440 0.0000000
0.1013800 -0.0219160 0.0000000
0.2720550 -0.0597510 0.0000000
0.4484030 -0.1387320 0.0000000
0.2901230 -0.1314820 0.0000000
0.0143220 0.5395260 0.0000000
-0.0034860 0.5807740 1.0000000
6.0010000 1.2410000 0.3364000 0.0953800
0.0354810 0.0000000
0.1980720 0.0000000
0.5052300 0.0000000
0.4794990 1.0000000
0.3430000
1.0000000
B:AUG-PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 2
10 5 2
4570.0000000 685.9000000 156.5000000 44.4700000 14.4800000
5.1310000 1.8980000 0.3329000 0.1043000 0.0310500
0.0006960 -0.0001390 0.0000000
0.0053530 -0.0010970 0.0000000
0.0271340 -0.0054440 0.0000000
0.1013800 -0.0219160 0.0000000
0.2720550 -0.0597510 0.0000000
0.4484030 -0.1387320 0.0000000
0.2901230 -0.1314820 0.0000000
0.0143220 0.5395260 0.0000000
-0.0034860 0.5807740 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
6.0010000 1.2410000 0.3364000 0.0953800 0.0237800
0.0354810 0.0000000
0.1980720 0.0000000
0.5052300 0.0000000
0.4794990 1.0000000
0.0000000 0.0000000 1.0000000
0.3430000 0.090400
1.0000000
0.0000000 1.0000000
B:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
5473.0000000 820.9000000 186.8000000 52.8300000 17.0800000
5.9990000 2.2080000 0.5879000 0.2415000 0.0861000
0.0005550 -0.0001120 0.0000000 0.0000000
0.0042910 -0.0008680 0.0000000 0.0000000
0.0219490 -0.0044840 0.0000000 0.0000000
0.0844410 -0.0176830 0.0000000 0.0000000
0.2385570 -0.0536390 0.0000000 0.0000000
0.4350720 -0.1190050 0.0000000 0.0000000
0.3419550 -0.1658240 0.0000000 0.0000000
0.0368560 0.1201070 1.0000000 0.0000000
-0.0095450 0.5959810 0.0000000 0.0000000
0.0023680 0.4110210 0.0000000 1.0000000
12.0500000 2.6130000 0.7475000 0.2385000 0.0769800
0.0131180 0.0000000 0.0000000
0.0798960 0.0000000 0.0000000
0.2772750 0.0000000 0.0000000
0.5042700 1.0000000 0.0000000
0.3536800 0.0000000 1.0000000
0.6610000 0.1990000
1.0000000 0.0000000
0.0000000 1.0000000
0.4900000
1.0000000
B:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
23870.0000000 3575.0000000 812.8000000 229.7000000 74.6900000
26.8100000 10.3200000 4.1780000 1.7270000 0.4704000
0.1896000 0.0739400
0.0000880 -0.0000180 0.0000000 0.0000000 0.0000000
0.0006870 -0.0001390 0.0000000 0.0000000 0.0000000
0.0036000 -0.0007250 0.0000000 0.0000000 0.0000000
0.0149490 -0.0030630 0.0000000 0.0000000 0.0000000
0.0514350 -0.0105810 0.0000000 0.0000000 0.0000000
0.1433020 -0.0313650 0.0000000 0.0000000 0.0000000
0.3009350 -0.0710120 0.0000000 0.0000000 0.0000000
0.4035260 -0.1321030 0.0000000 0.0000000 0.0000000
0.2253400 -0.1230720 0.0000000 0.0000000 0.0000000
0.0154070 0.2618190 1.0000000 0.0000000 0.0000000
-0.0039550 0.5866620 0.0000000 1.0000000 0.0000000
0.0011240 0.2904940 0.0000000 0.0000000 1.0000000
22.2600000 5.0580000 1.4870000 0.5071000 0.1812000
0.0646300
0.0050950 0.0000000 0.0000000 0.0000000
0.0332060 0.0000000 0.0000000 0.0000000
0.1323140 0.0000000 0.0000000 0.0000000
0.3318180 1.0000000 0.0000000 0.0000000
0.4720630 0.0000000 1.0000000 0.0000000
0.2579790 0.0000000 0.0000000 1.0000000
1.1100000 0.4020000 0.1450000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.8820000 0.3110000
1.0000000 0.0000000
0.0000000 1.0000000
0.6730000
1.0000000
C:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
6665.0000000 1000.0000000 228.0000000 64.7100000 21.0600000
7.4950000 2.7970000 0.5215000 0.1596000
0.0006920 -0.0001460 0.0000000
0.0053290 -0.0011540 0.0000000
0.0270770 -0.0057250 0.0000000
0.1017180 -0.0233120 0.0000000
0.2747400 -0.0639550 0.0000000
0.4485640 -0.1499810 0.0000000
0.2850740 -0.1272620 0.0000000
0.0152040 0.5445290 0.0000000
-0.0031910 0.5804960 1.0000000
9.4390000 2.0020000 0.5456000 0.1517000
0.0381090 0.0000000
0.2094800 0.0000000
0.5085570 0.0000000
0.4688420 1.0000000
0.5500000
1.0000000
C:AUG-PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 2
10 5 2
6665.0000000 1000.0000000 228.0000000 64.7100000 21.0600000
7.4950000 2.7970000 0.5215000 0.1596000 0.0469000
0.0006920 -0.0001460 0.0000000
0.0053290 -0.0011540 0.0000000
0.0270770 -0.0057250 0.0000000
0.1017180 -0.0233120 0.0000000
0.2747400 -0.0639550 0.0000000
0.4485640 -0.1499810 0.0000000
0.2850740 -0.1272620 0.0000000
0.0152040 0.5445290 0.0000000
-0.0031910 0.5804960 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
9.4390000 2.0020000 0.5456000 0.1517000 0.040410
0.0381090 0.0000000
0.2094800 0.0000000
0.5085570 0.0000000
0.4688420 1.0000000
0.0000000 0.0000000 1.0000000
0.5500000 0.151000
1.0000000
0.0000000 1.0000000
C:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
8236.0000000 1235.0000000 280.8000000 79.2700000 25.5900000
8.9970000 3.3190000 0.9059000 0.3643000 0.1285000
0.0005310 -0.0001130 0.0000000 0.0000000
0.0041080 -0.0008780 0.0000000 0.0000000
0.0210870 -0.0045400 0.0000000 0.0000000
0.0818530 -0.0181330 0.0000000 0.0000000
0.2348170 -0.0557600 0.0000000 0.0000000
0.4344010 -0.1268950 0.0000000 0.0000000
0.3461290 -0.1703520 0.0000000 0.0000000
0.0393780 0.1403820 1.0000000 0.0000000
-0.0089830 0.5986840 0.0000000 0.0000000
0.0023850 0.3953890 0.0000000 1.0000000
18.7100000 4.1330000 1.2000000 0.3827000 0.1209000
0.0140310 0.0000000 0.0000000
0.0868660 0.0000000 0.0000000
0.2902160 0.0000000 0.0000000
0.5010080 1.0000000 0.0000000
0.3434060 0.0000000 1.0000000
1.0970000 0.3180000
1.0000000 0.0000000
0.0000000 1.0000000
0.7610000
1.0000000
C:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
33980.0000000 5089.0000000 1157.0000000 326.6000000 106.1000000
38.1100000 14.7500000 6.0350000 2.5300000 0.7355000
0.2905000 0.1111000
0.0000910 -0.0000190 0.0000000 0.0000000 0.0000000
0.0007040 -0.0001510 0.0000000 0.0000000 0.0000000
0.0036930 -0.0007850 0.0000000 0.0000000 0.0000000
0.0153600 -0.0033240 0.0000000 0.0000000 0.0000000
0.0529290 -0.0115120 0.0000000 0.0000000 0.0000000
0.1470430 -0.0341600 0.0000000 0.0000000 0.0000000
0.3056310 -0.0771730 0.0000000 0.0000000 0.0000000
0.3993450 -0.1414930 0.0000000 0.0000000 0.0000000
0.2170510 -0.1180190 0.0000000 0.0000000 0.0000000
0.0158940 0.2738060 1.0000000 0.0000000 0.0000000
-0.0030840 0.5865100 0.0000000 1.0000000 0.0000000
0.0009780 0.2854300 0.0000000 0.0000000 1.0000000
34.5100000 7.9150000 2.3680000 0.8132000 0.2890000
0.1007000
0.0053780 0.0000000 0.0000000 0.0000000
0.0361320 0.0000000 0.0000000 0.0000000
0.1424930 0.0000000 0.0000000 0.0000000
0.3421500 1.0000000 0.0000000 0.0000000
0.4638640 0.0000000 1.0000000 0.0000000
0.2500280 0.0000000 0.0000000 1.0000000
1.8480000 0.6490000 0.2280000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.4190000 0.4850000
1.0000000 0.0000000
0.0000000 1.0000000
1.0110000
1.0000000
C:AUG-PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
33980.0000000 5089.0000000 1157.0000000 326.6000000 106.1000000
38.1100000 14.7500000 6.0350000 2.5300000 0.7355000
0.2905000 0.1111000 0.041450
0.0000910 -0.0000190 0.0000000 0.0000000 0.0000000
0.0007040 -0.0001510 0.0000000 0.0000000 0.0000000
0.0036930 -0.0007850 0.0000000 0.0000000 0.0000000
0.0153600 -0.0033240 0.0000000 0.0000000 0.0000000
0.0529290 -0.0115120 0.0000000 0.0000000 0.0000000
0.1470430 -0.0341600 0.0000000 0.0000000 0.0000000
0.3056310 -0.0771730 0.0000000 0.0000000 0.0000000
0.3993450 -0.1414930 0.0000000 0.0000000 0.0000000
0.2170510 -0.1180190 0.0000000 0.0000000 0.0000000
0.0158940 0.2738060 1.0000000 0.0000000 0.0000000
-0.0030840 0.5865100 0.0000000 1.0000000 0.0000000
0.0009780 0.2854300 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
34.5100000 7.9150000 2.3680000 0.8132000 0.2890000
0.1007000 0.032180
0.0053780 0.0000000 0.0000000 0.0000000
0.0361320 0.0000000 0.0000000 0.0000000
0.1424930 0.0000000 0.0000000 0.0000000
0.3421500 1.0000000 0.0000000 0.0000000
0.4638640 0.0000000 1.0000000 0.0000000
0.2500280 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
1.8480000 0.6490000 0.2280000 0.076600
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.4190000 0.4850000 0.18700
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.0110000 0.424000
1.0000000
0.0000000 1.0000000
N:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
9046.0000000 1357.0000000 309.3000000 87.7300000 28.5600000
10.2100000 3.8380000 0.7466000 0.2248000
0.0007000 -0.0001530 0.0000000
0.0053890 -0.0012080 0.0000000
0.0274060 -0.0059920 0.0000000
0.1032070 -0.0245440 0.0000000
0.2787230 -0.0674590 0.0000000
0.4485400 -0.1580780 0.0000000
0.2782380 -0.1218310 0.0000000
0.0154400 0.5490030 0.0000000
-0.0028640 0.5788150 1.0000000
13.5500000 2.9170000 0.7973000 0.2185000
0.0399190 0.0000000
0.2171690 0.0000000
0.5103190 0.0000000
0.4622140 1.0000000
0.8170000
1.0000000
N:AUG-PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 2
10 5 2
9046.0000000 1357.0000000 309.3000000 87.7300000 28.5600000
10.2100000 3.8380000 0.7466000 0.2248000 0.0612400
0.0007000 -0.0001530 0.0000000
0.0053890 -0.0012080 0.0000000
0.0274060 -0.0059920 0.0000000
0.1032070 -0.0245440 0.0000000
0.2787230 -0.0674590 0.0000000
0.4485400 -0.1580780 0.0000000
0.2782380 -0.1218310 0.0000000
0.0154400 0.5490030 0.0000000
-0.0028640 0.5788150 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
13.5500000 2.9170000 0.7973000 0.2185000 0.056110
0.0399190 0.0000000
0.2171690 0.0000000
0.5103190 0.0000000
0.4622140 1.0000000
0.0000000 0.0000000 1.0000000
0.8170000 0.2300000
1.0000000
0.0000000 1.0000000
N:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
11420.0000000 1712.0000000 389.3000000 110.0000000 35.5700000
12.5400000 4.6440000 1.2930000 0.5118000 0.1787000
0.0005230 -0.0001150 0.0000000 0.0000000
0.0040450 -0.0008950 0.0000000 0.0000000
0.0207750 -0.0046240 0.0000000 0.0000000
0.0807270 -0.0185280 0.0000000 0.0000000
0.2330740 -0.0573390 0.0000000 0.0000000
0.4335010 -0.1320760 0.0000000 0.0000000
0.3474720 -0.1725100 0.0000000 0.0000000
0.0412620 0.1518140 1.0000000 0.0000000
-0.0085080 0.5999440 0.0000000 0.0000000
0.0023840 0.3874620 0.0000000 1.0000000
26.6300000 5.9480000 1.7420000 0.5550000 0.1725000
0.0146700 0.0000000 0.0000000
0.0917640 0.0000000 0.0000000
0.2986830 0.0000000 0.0000000
0.4984870 1.0000000 0.0000000
0.3370230 0.0000000 1.0000000
1.6540000 0.4690000
1.0000000 0.0000000
0.0000000 1.0000000
1.0930000
1.0000000
N:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
45840.0000000 6868.0000000 1563.0000000 442.4000000 144.3000000
52.1800000 20.3400000 8.3810000 3.5290000 1.0540000
0.4118000 0.1552000
0.0000920 -0.0000200 0.0000000 0.0000000 0.0000000
0.0007170 -0.0001590 0.0000000 0.0000000 0.0000000
0.0037490 -0.0008240 0.0000000 0.0000000 0.0000000
0.0155320 -0.0034780 0.0000000 0.0000000 0.0000000
0.0531460 -0.0119660 0.0000000 0.0000000 0.0000000
0.1467870 -0.0353880 0.0000000 0.0000000 0.0000000
0.3046630 -0.0800770 0.0000000 0.0000000 0.0000000
0.3976840 -0.1467220 0.0000000 0.0000000 0.0000000
0.2176410 -0.1163600 0.0000000 0.0000000 0.0000000
0.0169630 0.2799190 1.0000000 0.0000000 0.0000000
-0.0027450 0.5854810 0.0000000 1.0000000 0.0000000
0.0009530 0.2840280 0.0000000 0.0000000 1.0000000
49.3300000 11.3700000 3.4350000 1.1820000 0.4173000
0.1428000
0.0055330 0.0000000 0.0000000 0.0000000
0.0379620 0.0000000 0.0000000 0.0000000
0.1490280 0.0000000 0.0000000 0.0000000
0.3489220 1.0000000 0.0000000 0.0000000
0.4589720 0.0000000 1.0000000 0.0000000
0.2449230 0.0000000 0.0000000 1.0000000
2.8370000 0.9680000 0.3350000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.0270000 0.6850000
1.0000000 0.0000000
0.0000000 1.0000000
1.4270000
1.0000000
N:AUG-PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
45840.0000000 6868.0000000 1563.0000000 442.4000000 144.3000000
52.1800000 20.3400000 8.3810000 3.5290000 1.0540000
0.4118000 0.1552000 0.054640
0.0000920 -0.0000200 0.0000000 0.0000000 0.0000000
0.0007170 -0.0001590 0.0000000 0.0000000 0.0000000
0.0037490 -0.0008240 0.0000000 0.0000000 0.0000000
0.0155320 -0.0034780 0.0000000 0.0000000 0.0000000
0.0531460 -0.0119660 0.0000000 0.0000000 0.0000000
0.1467870 -0.0353880 0.0000000 0.0000000 0.0000000
0.3046630 -0.0800770 0.0000000 0.0000000 0.0000000
0.3976840 -0.1467220 0.0000000 0.0000000 0.0000000
0.2176410 -0.1163600 0.0000000 0.0000000 0.0000000
0.0169630 0.2799190 1.0000000 0.0000000 0.0000000
-0.0027450 0.5854810 0.0000000 1.0000000 0.0000000
0.0009530 0.2840280 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
49.3300000 11.3700000 3.4350000 1.1820000 0.4173000
0.1428000 0.04402
0.0055330 0.0000000 0.0000000 0.0000000
0.0379620 0.0000000 0.0000000 0.0000000
0.1490280 0.0000000 0.0000000 0.0000000
0.3489220 1.0000000 0.0000000 0.0000000
0.4589720 0.0000000 1.0000000 0.0000000
0.2449230 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
2.8370000 0.9680000 0.3350000 0.111000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
2.0270000 0.6850000 0.245000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.4270000 0.55900
1.0000000
0.0000000 1.0000000
O:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
11720.0000000 1759.0000000 400.8000000 113.7000000 37.0300000
13.2700000 5.0250000 1.0130000 0.3023000
0.0007100 -0.0001600 0.0000000
0.0054700 -0.0012630 0.0000000
0.0278370 -0.0062670 0.0000000
0.1048000 -0.0257160 0.0000000
0.2830620 -0.0709240 0.0000000
0.4487190 -0.1654110 0.0000000
0.2709520 -0.1169550 0.0000000
0.0154580 0.5573680 0.0000000
-0.0025850 0.5727590 1.0000000
17.7000000 3.8540000 1.0460000 0.2753000
0.0430180 0.0000000
0.2289130 0.0000000
0.5087280 0.0000000
0.4605310 1.0000000
1.1850000
1.0000000
O:AUG-PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 2
10 5 2
11720.0000000 1759.0000000 400.8000000 113.7000000 37.0300000
13.2700000 5.0250000 1.0130000 0.3023000 0.0789600
0.0007100 -0.0001600 0.0000000
0.0054700 -0.0012630 0.0000000
0.0278370 -0.0062670 0.0000000
0.1048000 -0.0257160 0.0000000
0.2830620 -0.0709240 0.0000000
0.4487190 -0.1654110 0.0000000
0.2709520 -0.1169550 0.0000000
0.0154580 0.5573680 0.0000000
-0.0025850 0.5727590 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
17.7000000 3.8540000 1.0460000 0.2753000 0.068560
0.0430180 0.0000000
0.2289130 0.0000000
0.5087280 0.0000000
0.4605310 1.0000000
0.0000000 0.0000000 1.0000000
1.1850000 0.332000
1.0000000
0.0000000 1.0000000
O:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
15330.0000000 2299.0000000 522.4000000 147.3000000 47.5500000
16.7600000 6.2070000 1.7520000 0.6882000 0.2384000
0.0005080 -0.0001150 0.0000000 0.0000000
0.0039290 -0.0008950 0.0000000 0.0000000
0.0202430 -0.0046360 0.0000000 0.0000000
0.0791810 -0.0187240 0.0000000 0.0000000
0.2306870 -0.0584630 0.0000000 0.0000000
0.4331180 -0.1364630 0.0000000 0.0000000
0.3502600 -0.1757400 0.0000000 0.0000000
0.0427280 0.1609340 1.0000000 0.0000000
-0.0081540 0.6034180 0.0000000 0.0000000
0.0023810 0.3787650 0.0000000 1.0000000
34.4600000 7.7490000 2.2800000 0.7156000 0.2140000
0.0159280 0.0000000 0.0000000
0.0997400 0.0000000 0.0000000
0.3104920 0.0000000 0.0000000
0.4910260 1.0000000 0.0000000
0.3363370 0.0000000 1.0000000
2.3140000 0.6450000
1.0000000 0.0000000
0.0000000 1.0000000
1.4280000
1.0000000
O:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
61420.0000000 9199.0000000 2091.0000000 590.9000000 192.3000000
69.3200000 26.9700000 11.1000000 4.6820000 1.4280000
0.5547000 0.2067000
0.0000900 -0.0000200 0.0000000 0.0000000 0.0000000
0.0006980 -0.0001590 0.0000000 0.0000000 0.0000000
0.0036640 -0.0008290 0.0000000 0.0000000 0.0000000
0.0152180 -0.0035080 0.0000000 0.0000000 0.0000000
0.0524230 -0.0121560 0.0000000 0.0000000 0.0000000
0.1459210 -0.0362610 0.0000000 0.0000000 0.0000000
0.3052580 -0.0829920 0.0000000 0.0000000 0.0000000
0.3985080 -0.1520900 0.0000000 0.0000000 0.0000000
0.2169800 -0.1153310 0.0000000 0.0000000 0.0000000
0.0175940 0.2889790 1.0000000 0.0000000 0.0000000
-0.0025020 0.5861280 0.0000000 1.0000000 0.0000000
0.0009540 0.2776240 0.0000000 0.0000000 1.0000000
63.4200000 14.6600000 4.4590000 1.5310000 0.5302000
0.1750000
0.0060440 0.0000000 0.0000000 0.0000000
0.0417990 0.0000000 0.0000000 0.0000000
0.1611430 0.0000000 0.0000000 0.0000000
0.3567310 1.0000000 0.0000000 0.0000000
0.4483090 0.0000000 1.0000000 0.0000000
0.2449400 0.0000000 0.0000000 1.0000000
3.7750000 1.3000000 0.4440000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.6660000 0.8590000
1.0000000 0.0000000
0.0000000 1.0000000
1.8460000
1.0000000
O:AUG-PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
61420.0000000 9199.0000000 2091.0000000 590.9000000 192.3000000
69.3200000 26.9700000 11.1000000 4.6820000 1.4280000
0.5547000 0.2067000 0.069590
0.0000900 -0.0000200 0.0000000 0.0000000 0.0000000
0.0006980 -0.0001590 0.0000000 0.0000000 0.0000000
0.0036640 -0.0008290 0.0000000 0.0000000 0.0000000
0.0152180 -0.0035080 0.0000000 0.0000000 0.0000000
0.0524230 -0.0121560 0.0000000 0.0000000 0.0000000
0.1459210 -0.0362610 0.0000000 0.0000000 0.0000000
0.3052580 -0.0829920 0.0000000 0.0000000 0.0000000
0.3985080 -0.1520900 0.0000000 0.0000000 0.0000000
0.2169800 -0.1153310 0.0000000 0.0000000 0.0000000
0.0175940 0.2889790 1.0000000 0.0000000 0.0000000
-0.0025020 0.5861280 0.0000000 1.0000000 0.0000000
0.0009540 0.2776240 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
63.4200000 14.6600000 4.4590000 1.5310000 0.5302000
0.1750000 0.05348
0.0060440 0.0000000 0.0000000 0.0000000
0.0417990 0.0000000 0.0000000 0.0000000
0.1611430 0.0000000 0.0000000 0.0000000
0.3567310 1.0000000 0.0000000 0.0000000
0.4483090 0.0000000 1.0000000 0.0000000
0.2449400 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
3.7750000 1.3000000 0.4440000 0.154000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
2.6660000 0.8590000 0.324000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.8460000 0.71400
1.0000000
0.0000000 1.0000000
F:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
14710.0000000 2207.0000000 502.8000000 142.6000000 46.4700000
16.7000000 6.3560000 1.3160000 0.3897000
0.0007210 -0.0001650 0.0000000
0.0055530 -0.0013080 0.0000000
0.0282670 -0.0064950 0.0000000
0.1064440 -0.0266910 0.0000000
0.2868140 -0.0736900 0.0000000
0.4486410 -0.1707760 0.0000000
0.2647610 -0.1123270 0.0000000
0.0153330 0.5628140 0.0000000
-0.0023320 0.5687780 1.0000000
22.6700000 4.9770000 1.3470000 0.3471000
0.0448780 0.0000000
0.2357180 0.0000000
0.5085210 0.0000000
0.4581200 1.0000000
1.6400000
1.0000000
F:AUG-PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 2
10 5 2
14710.0000000 2207.0000000 502.8000000 142.6000000 46.4700000
16.7000000 6.3560000 1.3160000 0.3897000 0.0986300
0.0007210 -0.0001650 0.0000000
0.0055530 -0.0013080 0.0000000
0.0282670 -0.0064950 0.0000000
0.1064440 -0.0266910 0.0000000
0.2868140 -0.0736900 0.0000000
0.4486410 -0.1707760 0.0000000
0.2647610 -0.1123270 0.0000000
0.0153330 0.5628140 0.0000000
-0.0023320 0.5687780 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
22.6700000 4.9770000 1.3470000 0.3471000 0.085020
0.0448780 0.0000000
0.2357180 0.0000000
0.5085210 0.0000000
0.4581200 1.0000000
0.0000000 0.0000000 1.0000000
1.6400000 0.4640000
1.0000000
0.0000000 1.0000000
F:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
19500.0000000 2923.0000000 664.5000000 187.5000000 60.6200000
21.4200000 7.9500000 2.2570000 0.8815000 0.3041000
0.0005070 -0.0001170 0.0000000 0.0000000
0.0039230 -0.0009120 0.0000000 0.0000000
0.0202000 -0.0047170 0.0000000 0.0000000
0.0790100 -0.0190860 0.0000000 0.0000000
0.2304390 -0.0596550 0.0000000 0.0000000
0.4328720 -0.1400100 0.0000000 0.0000000
0.3499640 -0.1767820 0.0000000 0.0000000
0.0432330 0.1716250 1.0000000 0.0000000
-0.0078920 0.6050430 0.0000000 0.0000000
0.0023840 0.3695120 0.0000000 1.0000000
43.8800000 9.9260000 2.9300000 0.9132000 0.2672000
0.0166650 0.0000000 0.0000000
0.1044720 0.0000000 0.0000000
0.3172600 0.0000000 0.0000000
0.4873430 1.0000000 0.0000000
0.3346040 0.0000000 1.0000000
3.1070000 0.8550000
1.0000000 0.0000000
0.0000000 1.0000000
1.9170000
1.0000000
F:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
12 6 3 2 1
74530.0000000 11170.0000000 2543.0000000 721.0000000 235.9000000
85.6000000 33.5500000 13.9300000 5.9150000 1.8430000
0.7124000 0.2637000
0.0000950 -0.0000220 0.0000000 0.0000000 0.0000000
0.0007380 -0.0001720 0.0000000 0.0000000 0.0000000
0.0038580 -0.0008910 0.0000000 0.0000000 0.0000000
0.0159260 -0.0037480 0.0000000 0.0000000 0.0000000
0.0542890 -0.0128620 0.0000000 0.0000000 0.0000000
0.1495130 -0.0380610 0.0000000 0.0000000 0.0000000
0.3082520 -0.0862390 0.0000000 0.0000000 0.0000000
0.3948530 -0.1558650 0.0000000 0.0000000 0.0000000
0.2110310 -0.1109140 0.0000000 0.0000000 0.0000000
0.0171510 0.2987610 1.0000000 0.0000000 0.0000000
-0.0020150 0.5850130 0.0000000 1.0000000 0.0000000
0.0008690 0.2711590 0.0000000 0.0000000 1.0000000
80.3900000 18.6300000 5.6940000 1.9530000 0.6702000
0.2166000
0.0063470 0.0000000 0.0000000 0.0000000
0.0442040 0.0000000 0.0000000 0.0000000
0.1685140 0.0000000 0.0000000 0.0000000
0.3615630 1.0000000 0.0000000 0.0000000
0.4421780 0.0000000 1.0000000 0.0000000
0.2434350 0.0000000 0.0000000 1.0000000
5.0140000 1.7250000 0.5860000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
3.5620000 1.1480000
1.0000000 0.0000000
0.0000000 1.0000000
2.3760000
1.0000000
F:AUG-PVQZ
JFS AUGMENTED DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 4 3 2
13 7 4 3 2
74530.0000000 11170.0000000 2543.0000000 721.0000000 235.9000000
85.6000000 33.5500000 13.9300000 5.9150000 1.8430000
0.7124000 0.2637000 0.085940
0.0000950 -0.0000220 0.0000000 0.0000000 0.0000000
0.0007380 -0.0001720 0.0000000 0.0000000 0.0000000
0.0038580 -0.0008910 0.0000000 0.0000000 0.0000000
0.0159260 -0.0037480 0.0000000 0.0000000 0.0000000
0.0542890 -0.0128620 0.0000000 0.0000000 0.0000000
0.1495130 -0.0380610 0.0000000 0.0000000 0.0000000
0.3082520 -0.0862390 0.0000000 0.0000000 0.0000000
0.3948530 -0.1558650 0.0000000 0.0000000 0.0000000
0.2110310 -0.1109140 0.0000000 0.0000000 0.0000000
0.0171510 0.2987610 1.0000000 0.0000000 0.0000000
-0.0020150 0.5850130 0.0000000 1.0000000 0.0000000
0.0008690 0.2711590 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
80.3900000 18.6300000 5.6940000 1.9530000 0.6702000
0.2166000 0.065680
0.0063470 0.0000000 0.0000000 0.0000000
0.0442040 0.0000000 0.0000000 0.0000000
0.1685140 0.0000000 0.0000000 0.0000000
0.3615630 1.0000000 0.0000000 0.0000000
0.4421780 0.0000000 1.0000000 0.0000000
0.2434350 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
5.0140000 1.7250000 0.5860000 0.207000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
3.5620000 1.1480000 0.460000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
2.3760000 0.92400
1.0000000
0.0000000 1.0000000
H:PVDZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
2
0 1
2 1
4 1
13.0100000 1.9620000 0.4446000 0.1220000
0.0196850 0.0000000
0.1379770 0.0000000
0.4781480 0.0000000
0.5012400 1.0000000
0.7270000
1.0000000
H:PVTZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
5 2 1
33.8700000 5.0950000 1.1590000 0.3258000 0.1027000
0.0060680 0.0000000 0.0000000
0.0453080 0.0000000 0.0000000
0.2028220 0.0000000 0.0000000
0.5039030 1.0000000 0.0000000
0.3834210 0.0000000 1.0000000
1.4070000 0.3880000
1.0000000 0.0000000
0.0000000 1.0000000
1.0570000
1.0000000
H:PVQZ
JFS DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
6 3 2 1
82.6400000 12.4100000 2.8240000 0.7977000 0.2581000
0.0898900
0.0020060 0.0000000 0.0000000 0.0000000
0.0153430 0.0000000 0.0000000 0.0000000
0.0755790 0.0000000 0.0000000 0.0000000
0.2568750 1.0000000 0.0000000 0.0000000
0.4973680 0.0000000 1.0000000 0.0000000
0.2961330 0.0000000 0.0000000 1.0000000
2.2920000 0.8380000 0.2920000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.0620000 0.6620000
1.0000000 0.0000000
0.0000000 1.0000000
1.3970000
1.0000000
H:AUG-PVQZ
JFS AUGMENTED DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 3 2
7 4 3 2
82.6400000 12.4100000 2.8240000 0.7977000 0.2581000
0.0898900 0.023630
0.0020060 0.0000000 0.0000000 0.0000000
0.0153430 0.0000000 0.0000000 0.0000000
0.0755790 0.0000000 0.0000000 0.0000000
0.2568750 1.0000000 0.0000000 0.0000000
0.4973680 0.0000000 1.0000000 0.0000000
0.2961330 0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
2.2920000 0.8380000 0.2920000 0.084800
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.0000000 0.0000000 0.0000000 1.0000000
2.0620000 0.6620000 0.190000
1.0000000 0.0000000
0.0000000 1.0000000
0.0000000 0.0000000 1.0000000
1.3970000 0.360000
1.0000000
0.0000000 1.0000000
H:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1
8 4 3 2 1
402.0000000 60.2400000 13.7300000 3.9050000 1.2830000
.4655000 .1811000 .0727900
.00027900 .00000000 .00000000 .00000000 .00000000
.00216500 .00000000 .00000000 .00000000 .00000000
.01120100 .00000000 .00000000 .00000000 .00000000
.04487800 .00000000 .00000000 .00000000 .00000000
.14229900 1.00000000 .00000000 .00000000 .00000000
.33097900 .00000000 1.00000000 .00000000 .00000000
.43626900 .00000000 .00000000 1.00000000 .00000000
.17644000 .00000000 .00000000 .00000000 1.00000000
4.5160000 1.7120000 .6490000 .2460000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
2.9500000 1.2060000 .4930000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
2.5060000 .8750000
1.00000000 .00000000
.00000000 1.00000000
2.3580000
1.00000000
B:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
6 5 4 3 2 1
14 8 4 3 2 1
68260.0000000 10230.0000000 2328.0000000 660.4000000 216.2000000
78.6000000 30.9800000 12.9600000 5.6590000 2.5560000
1.1750000 .4249000 .1712000 .0691300
.00002400 -.00000500 .00000000 .00000000 .00000000 .00000000
.00018500 -.00003700 .00000000 .00000000 .00000000 .00000000
.00097000 -.00019600 .00000000 .00000000 .00000000 .00000000
.00405600 -.00082400 .00000000 .00000000 .00000000 .00000000
.01439900 -.00292300 .00000000 .00000000 .00000000 .00000000
.04390100 -.00913800 .00000000 .00000000 .00000000 .00000000
.11305700 -.02410500 .00000000 .00000000 .00000000 .00000000
.23382500 -.05475500 .00000000 .00000000 .00000000 .00000000
.35396000 -.09694300 .00000000 .00000000 .00000000 .00000000
.30154700 -.13748500 .00000000 .00000000 .00000000 .00000000
.08752100 -.04456500 1.00000000 .00000000 .00000000 .00000000
.00281900 .32434500 .00000000 1.00000000 .00000000 .00000000
.00004300 .57041400 .00000000 .00000000 1.00000000 .00000000
.00007800 .24344400 .00000000 .00000000 .00000000 1.00000000
66.4400000 15.7100000 4.9360000 1.7700000 .7008000
.2901000 .1211000 .0497300
.00083800 .00000000 .00000000 .00000000 .00000000
.00640900 .00000000 .00000000 .00000000 .00000000
.02808100 .00000000 .00000000 .00000000 .00000000
.09215200 .00000000 .00000000 .00000000 .00000000
.22416400 1.00000000 .00000000 .00000000 .00000000
.36991500 .00000000 1.00000000 .00000000 .00000000
.37444100 .00000000 .00000000 1.00000000 .00000000
.13908600 .00000000 .00000000 .00000000 1.00000000
2.0100000 .7960000 .3160000 .1250000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
1.2150000 .5250000 .2270000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
1.1240000 .4610000
1.00000000 .00000000
.00000000 1.00000000
.8340000
1.00000000
C:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
6 5 4 3 2 1
14 8 4 3 2 1
96770.0000000 14500.0000000 3300.0000000 935.8000000 306.2000000
111.3000000 43.9000000 18.4000000 8.0540000 3.6370000
1.6560000 .6333000 .2545000 .1019000
.00002500 -.00000500 .00000000 .00000000 .00000000 .00000000
.00019000 -.00004100 .00000000 .00000000 .00000000 .00000000
.00100000 -.00021300 .00000000 .00000000 .00000000 .00000000
.00418300 -.00089700 .00000000 .00000000 .00000000 .00000000
.01485900 -.00318700 .00000000 .00000000 .00000000 .00000000
.04530100 -.00996100 .00000000 .00000000 .00000000 .00000000
.11650400 -.02637500 .00000000 .00000000 .00000000 .00000000
.24024900 -.06000100 .00000000 .00000000 .00000000 .00000000
.35879900 -.10682500 .00000000 .00000000 .00000000 .00000000
.29394100 -.14416600 .00000000 .00000000 .00000000 .00000000
.07766500 -.02464420 1.00000000 .00000000 .00000000 .00000000
.00233300 .34900900 .00000000 1.00000000 .00000000 .00000000
.00050500 .55873700 .00000000 .00000000 1.00000000 .00000000
.00003000 .22810200 .00000000 .00000000 .00000000 1.00000000
101.8000000 24.0400000 7.5710000 2.7320000 1.0850000
.4496000 .1876000 .0760600
.00089100 .00000000 .00000000 .00000000 .00000000
.00697600 .00000000 .00000000 .00000000 .00000000
.03166900 .00000000 .00000000 .00000000 .00000000
.10400600 .00000000 .00000000 .00000000 .00000000
.24163300 1.00000000 .00000000 .00000000 .00000000
.37194600 .00000000 1.00000000 .00000000 .00000000
.35420000 .00000000 .00000000 1.00000000 .00000000
.13156800 .00000000 .00000000 .00000000 1.00000000
3.1340000 1.2330000 .4850000 .1910000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
2.0060000 .8380000 .3500000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
1.7530000 .6780000
1.00000000 .00000000
.00000000 1.00000000
1.2590000
1.00000000
N:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
6 5 4 3 2 1
14 8 4 3 2 1
129200.0000000 19350.0000000 4404.0000000 1248.0000000 408.0000000
148.2000000 58.5000000 24.5900000 10.8100000 4.8820000
2.1950000 .8715000 .3504000 .1397000
.00002500 -.00000600 .00000000 .00000000 .00000000 .00000000
.00019700 -.00004300 .00000000 .00000000 .00000000 .00000000
.00103200 -.00022700 .00000000 .00000000 .00000000 .00000000
.00432500 -.00095800 .00000000 .00000000 .00000000 .00000000
.01538000 -.00341600 .00000000 .00000000 .00000000 .00000000
.04686700 -.01066700 .00000000 .00000000 .00000000 .00000000
.12011600 -.02827900 .00000000 .00000000 .00000000 .00000000
.24569500 -.06402000 .00000000 .00000000 .00000000 .00000000
.36137900 -.11393200 .00000000 .00000000 .00000000 .00000000
.28728300 -.14699500 .00000000 .00000000 .00000000 .00000000
.07017100 -.00725100 1.00000000 .00000000 .00000000 .00000000
.00183100 .36618300 .00000000 1.00000000 .00000000 .00000000
.00083500 .54790800 .00000000 .00000000 1.00000000 .00000000
-.00000600 .21664500 .00000000 .00000000 .00000000 1.00000000
147.0000000 34.7600000 11.0000000 3.9950000 1.5870000
.6533000 .2686000 .1067000
.00089200 .00000000 .00000000 .00000000 .00000000
.00708200 .00000000 .00000000 .00000000 .00000000
.03281600 .00000000 .00000000 .00000000 .00000000
.10820900 .00000000 .00000000 .00000000 .00000000
.24809400 1.00000000 .00000000 .00000000 .00000000
.37451300 .00000000 1.00000000 .00000000 .00000000
.34841400 .00000000 .00000000 1.00000000 .00000000
.12834000 .00000000 .00000000 .00000000 1.00000000
4.6470000 1.8130000 .7070000 .2760000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
2.9420000 1.2040000 .4930000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
2.5110000 .9420000
1.00000000 .00000000
.00000000 1.00000000
1.7680000
1.00000000
O:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
6 5 4 3 2 1
14 8 4 3 2 1
164200.0000000 24590.0000000 5592.0000000 1582.0000000 516.1000000
187.2000000 73.9300000 31.2200000 13.8100000 6.2560000
2.7760000 1.1380000 .4600000 .1829000
.00002600 -.00000600 .00000000 .00000000 .00000000 .00000000
.00020500 -.00004600 .00000000 .00000000 .00000000 .00000000
.00107600 -.00024400 .00000000 .00000000 .00000000 .00000000
.00452200 -.00103100 .00000000 .00000000 .00000000 .00000000
.01610800 -.00368800 .00000000 .00000000 .00000000 .00000000
.04908500 -.01151400 .00000000 .00000000 .00000000 .00000000
.12485700 -.03043500 .00000000 .00000000 .00000000 .00000000
.25168600 -.06814700 .00000000 .00000000 .00000000 .00000000
.36242000 -.12036800 .00000000 .00000000 .00000000 .00000000
.27905100 -.14826000 .00000000 .00000000 .00000000 .00000000
.06355200 .00990500 1.00000000 .00000000 .00000000 .00000000
.00106300 .38428600 .00000000 1.00000000 .00000000 .00000000
.00114400 .53680500 .00000000 .00000000 1.00000000 .00000000
-.00004000 .20268700 .00000000 .00000000 .00000000 1.00000000
195.5000000 46.1600000 14.5800000 5.2960000 2.0940000
.8471000 .3368000 .1285000
.00091800 .00000000 .00000000 .00000000 .00000000
.00738800 .00000000 .00000000 .00000000 .00000000
.03495800 .00000000 .00000000 .00000000 .00000000
.11543100 .00000000 .00000000 .00000000 .00000000
.25680300 1.00000000 .00000000 .00000000 .00000000
.37393800 .00000000 1.00000000 .00000000 .00000000
.34344700 .00000000 .00000000 1.00000000 .00000000
.12970600 .00000000 .00000000 .00000000 1.00000000
5.8790000 2.3070000 .9050000 .3550000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
4.0160000 1.5540000 .6010000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
3.3500000 1.1890000
1.00000000 .00000000
.00000000 1.00000000
2.3190000
1.00000000
F:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
6 5 4 3 2 1
14 8 4 3 2 1
211400.0000000 31660.0000000 7202.0000000 2040.0000000 666.4000000
242.0000000 95.5300000 40.2300000 17.7200000 8.0050000
3.5380000 1.4580000 .5887000 .2324000
.00002600 -.00000600 .00000000 .00000000 .00000000 .00000000
.00020100 -.00004700 .00000000 .00000000 .00000000 .00000000
.00105600 -.00024400 .00000000 .00000000 .00000000 .00000000
.00443200 -.00103100 .00000000 .00000000 .00000000 .00000000
.01576600 -.00368300 .00000000 .00000000 .00000000 .00000000
.04811200 -.01151300 .00000000 .00000000 .00000000 .00000000
.12323200 -.03066300 .00000000 .00000000 .00000000 .00000000
.25151900 -.06957200 .00000000 .00000000 .00000000 .00000000
.36452500 -.12399200 .00000000 .00000000 .00000000 .00000000
.27976600 -.15021400 .00000000 .00000000 .00000000 .00000000
.06354500 .01646000 1.00000000 .00000000 .00000000 .00000000
.00111100 .39255000 .00000000 1.00000000 .00000000 .00000000
.00125800 .53216400 .00000000 .00000000 1.00000000 .00000000
-.00003500 .19652400 .00000000 .00000000 .00000000 1.00000000
241.9000000 57.1700000 18.1300000 6.6240000 2.6220000
1.0570000 .4176000 .1574000
.00100200 .00000000 .00000000 .00000000 .00000000
.00805400 .00000000 .00000000 .00000000 .00000000
.03804800 .00000000 .00000000 .00000000 .00000000
.12377900 .00000000 .00000000 .00000000 .00000000
.26606000 1.00000000 .00000000 .00000000 .00000000
.37179600 .00000000 1.00000000 .00000000 .00000000
.33289000 .00000000 .00000000 1.00000000 .00000000
.12849100 .00000000 .00000000 .00000000 1.00000000
7.7600000 3.0320000 1.1850000 .4630000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
5.3980000 2.0780000 .8000000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
4.3380000 1.5130000
1.00000000 .00000000
.00000000 1.00000000
2.9950000
1.00000000
NE:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
6 5 4 3 2 1
14 8 4 3 2 1
262700.0000000 39350.0000000 8955.0000000 2538.0000000 829.9000000
301.5000000 119.0000000 50.0000000 21.9800000 9.8910000
4.3270000 1.8040000 .7288000 .2867000
.00002600 -.00000600 .00000000 .00000000 .00000000 .00000000
.00020000 -.00004700 .00000000 .00000000 .00000000 .00000000
.00105000 -.00024700 .00000000 .00000000 .00000000 .00000000
.00440000 -.00103800 .00000000 .00000000 .00000000 .00000000
.01564900 -.00371100 .00000000 .00000000 .00000000 .00000000
.04775800 -.01159300 .00000000 .00000000 .00000000 .00000000
.12294300 -.03108600 .00000000 .00000000 .00000000 .00000000
.25248300 -.07097200 .00000000 .00000000 .00000000 .00000000
.36631400 -.12726600 .00000000 .00000000 .00000000 .00000000
.27961700 -.15123100 .00000000 .00000000 .00000000 .00000000
.06165100 .02466600 1.00000000 .00000000 .00000000 .00000000
.00093400 .39961200 .00000000 1.00000000 .00000000 .00000000
.00136700 .52661600 .00000000 .00000000 1.00000000 .00000000
-.00003800 .19085400 .00000000 .00000000 .00000000 1.00000000
299.1000000 70.7300000 22.4800000 8.2460000 3.2690000
1.3150000 .5158000 .1918000
.00103800 .00000000 .00000000 .00000000 .00000000
.00837500 .00000000 .00000000 .00000000 .00000000
.03969300 .00000000 .00000000 .00000000 .00000000
.12805600 .00000000 .00000000 .00000000 .00000000
.27032500 1.00000000 .00000000 .00000000 .00000000
.37096300 .00000000 1.00000000 .00000000 .00000000
.32849900 .00000000 .00000000 1.00000000 .00000000
.12758800 .00000000 .00000000 .00000000 1.00000000
9.8370000 3.8440000 1.5020000 .5870000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
7.0900000 2.7380000 1.0570000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
5.4600000 1.8800000
1.00000000 .00000000
.00000000 1.00000000
3.7760000
1.00000000
AL:PVQZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 3 2 1 0
16 11 3 2 1 0
419600.0000000 62830.0000000 14290.0000000 4038.0000000 1312.0000000
470.5000000 181.8000000 74.4600000 31.9000000 13.9600000
5.1800000 2.2650000 .9664000 .2447000 .1184000
.0502100
.00002782 -.00000724 .00000167 .00000000 .00000000 .00000000
.00021633 -.00005617 .00001296 .00000000 .00000000 .00000000
.00113754 -.00029653 .00006851 .00000000 .00000000 .00000000
.00479635 -.00124913 .00028827 .00000000 .00000000 .00000000
.01723890 -.00455101 .00105276 .00000000 .00000000 .00000000
.05380660 -.01443930 .00333878 .00000000 .00000000 .00000000
.14132600 -.04034640 .00939217 .00000000 .00000000 .00000000
.28926800 -.09226180 .02160470 .00000000 .00000000 .00000000
.38482500 -.16451000 .03958730 .00000000 .00000000 .00000000
.23285200 -.14129600 .03491800 .00000000 .00000000 .00000000
.02933300 .19536500 -.05284150 .00000000 .00000000 .00000000
-.00300574 .57247500 -.19187800 .00000000 .00000000 .00000000
.00166673 .37404100 -.25411500 .00000000 .00000000 .00000000
-.00060602 .02341190 .27507000 1.00000000 .00000000 .00000000
.00043136 -.00905197 .60474300 .00000000 1.00000000 .00000000
-.00012292 .00211174 .28762900 .00000000 .00000000 1.00000000
891.3000000 211.3000000 68.2800000 25.7000000 10.6300000
4.6020000 2.0150000 .8706000 .2972000 .1100000
.0398900
.00049175 -.00008887 .00000000 .00000000 .00000000
.00415843 -.00074582 .00000000 .00000000 .00000000
.02125380 -.00387025 .00000000 .00000000 .00000000
.07640580 -.01393500 .00000000 .00000000 .00000000
.19427700 -.03668600 .00000000 .00000000 .00000000
.33442800 -.06277970 .00000000 .00000000 .00000000
.37502600 -.07896020 .00000000 .00000000 .00000000
.20404100 -.02885890 .00000000 .00000000 .00000000
.02137380 .23825600 1.00000000 .00000000 .00000000
-.00202144 .55136300 .00000000 1.00000000 .00000000
.00081725 .35438500 .00000000 .00000000 1.00000000
.0804000 .1990000 .4940000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.1540000 .4010000
1.00000000 .00000000
.00000000 1.00000000
.3570000
1.00000000
SI:PVQZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 3 2 1 0
16 11 3 2 1 0
513000.0000000 76820.0000000 17470.0000000 4935.0000000 1602.0000000
574.1000000 221.5000000 90.5400000 38.7400000 16.9500000
6.4520000 2.8740000 1.2500000 .3599000 .1699000
.0706600
.00002609 -.00000695 .00000178 .00000000 .00000000 .00000000
.00020290 -.00005396 .00001381 .00000000 .00000000 .00000000
.00106715 -.00028472 .00007300 .00000000 .00000000 .00000000
.00450597 -.00120203 .00030767 .00000000 .00000000 .00000000
.01623590 -.00438397 .00112563 .00000000 .00000000 .00000000
.05089130 -.01397760 .00358435 .00000000 .00000000 .00000000
.13515500 -.03935160 .01017280 .00000000 .00000000 .00000000
.28129200 -.09142830 .02375200 .00000000 .00000000 .00000000
.38533600 -.16560900 .04434830 .00000000 .00000000 .00000000
.24565100 -.15250500 .04190410 .00000000 .00000000 .00000000
.03431450 .16852400 -.05025040 .00000000 .00000000 .00000000
-.00334884 .56928400 -.21657800 .00000000 .00000000 .00000000
.00187625 .39805600 -.28644800 .00000000 .00000000 .00000000
-.00069333 .02915090 .26325600 1.00000000 .00000000 .00000000
.00043831 -.00848976 .63490000 .00000000 1.00000000 .00000000
-.00012262 .00199603 .29083200 .00000000 .00000000 1.00000000
1122.0000000 266.0000000 85.9200000 32.3300000 13.3700000
5.8000000 2.5590000 1.1240000 .3988000 .1533000
.0572800
.00044814 -.00009649 .00000000 .00000000 .00000000
.00381639 -.00081197 .00000000 .00000000 .00000000
.01981050 -.00430087 .00000000 .00000000 .00000000
.07270170 -.01575020 .00000000 .00000000 .00000000
.18983900 -.04295410 .00000000 .00000000 .00000000
.33567200 -.07525740 .00000000 .00000000 .00000000
.37936500 -.09714460 .00000000 .00000000 .00000000
.20119300 -.02275070 .00000000 .00000000 .00000000
.02085150 .29198800 1.00000000 .00000000 .00000000
-.00170258 .55067000 .00000000 1.00000000 .00000000
.00075005 .29761800 .00000000 .00000000 1.00000000
.1200000 .3020000 .7600000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.2120000 .5410000
1.00000000 .00000000
.00000000 1.00000000
.4610000
1.00000000
P:PVQZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 3 2 1 0
16 11 3 2 1 0
615200.0000000 92120.0000000 20950.0000000 5920.0000000 1922.0000000
688.0000000 265.0000000 108.2000000 46.2200000 20.2300000
7.8590000 3.5470000 1.5640000 .4888000 .2266000
.0933100
.00002475 -.00000672 .00000185 .00000000 .00000000 .00000000
.00019247 -.00005223 .00001434 .00000000 .00000000 .00000000
.00101202 -.00027536 .00007572 .00000000 .00000000 .00000000
.00427261 -.00116307 .00031920 .00000000 .00000000 .00000000
.01541610 -.00424281 .00116851 .00000000 .00000000 .00000000
.04859760 -.01361140 .00374267 .00000000 .00000000 .00000000
.13006000 -.03851140 .01068170 .00000000 .00000000 .00000000
.27451400 -.09066430 .02526570 .00000000 .00000000 .00000000
.38540200 -.16658400 .04792830 .00000000 .00000000 .00000000
.25593400 -.16144700 .04770960 .00000000 .00000000 .00000000
.03912370 .14678100 -.04665250 .00000000 .00000000 .00000000
-.00368010 .56668200 -.23496800 .00000000 .00000000 .00000000
.00208211 .41643300 -.31133700 .00000000 .00000000 .00000000
-.00078848 .03438440 .25710900 1.00000000 .00000000 .00000000
.00045405 -.00780638 .65365500 .00000000 1.00000000 .00000000
-.00012664 .00192259 .29421200 .00000000 .00000000 1.00000000
1367.0000000 324.0000000 104.6000000 39.3700000 16.2600000
7.0560000 3.1300000 1.3940000 .5179000 .2032000
.0769800
.00042102 -.00010083 .00000000 .00000000 .00000000
.00360985 -.00085450 .00000000 .00000000 .00000000
.01892170 -.00457116 .00000000 .00000000 .00000000
.07055600 -.01703270 .00000000 .00000000 .00000000
.18815700 -.04752040 .00000000 .00000000 .00000000
.33870900 -.08527860 .00000000 .00000000 .00000000
.38194300 -.10967600 .00000000 .00000000 .00000000
.19526100 -.01611810 .00000000 .00000000 .00000000
.01994160 .32289300 1.00000000 .00000000 .00000000
-.00135121 .54573800 .00000000 1.00000000 .00000000
.00051714 .26853800 .00000000 .00000000 1.00000000
.1650000 .4130000 1.0360000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.2800000 .7030000
1.00000000 .00000000
.00000000 1.00000000
.5970000
1.00000000
S:PVQZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 3 2 1 0
16 11 3 2 1 0
727800.0000000109000.0000000 24800.0000000 7014.0000000 2278.0000000
814.7000000 313.4000000 127.7000000 54.4800000 23.8500000
9.4280000 4.2900000 1.9090000 .6270000 .2873000
.1172000
.00002360 -.00000652 .00000189 .00000000 .00000000 .00000000
.00018348 -.00005066 .00001469 .00000000 .00000000 .00000000
.00096428 -.00026683 .00007755 .00000000 .00000000 .00000000
.00406537 -.00112601 .00032651 .00000000 .00000000 .00000000
.01469730 -.00411186 .00119686 .00000000 .00000000 .00000000
.04650810 -.01324540 .00384799 .00000000 .00000000 .00000000
.12550800 -.03770040 .01105390 .00000000 .00000000 .00000000
.26843300 -.08985540 .02646450 .00000000 .00000000 .00000000
.38480900 -.16709800 .05087710 .00000000 .00000000 .00000000
.26537200 -.16935400 .05300300 .00000000 .00000000 .00000000
.04373260 .12782400 -.04255180 .00000000 .00000000 .00000000
-.00378807 .56486200 -.25085300 .00000000 .00000000 .00000000
.00218083 .43176700 -.33315200 .00000000 .00000000 .00000000
-.00083694 .03893980 .26379600 1.00000000 .00000000 .00000000
.00044809 -.00730260 .66684900 .00000000 1.00000000 .00000000
-.00012529 .00192327 .28845100 .00000000 .00000000 1.00000000
1546.0000000 366.4000000 118.4000000 44.5300000 18.3800000
7.9650000 3.5410000 1.5910000 .6205000 .2420000
.0901400
.00044118 -.00011311 .00000000 .00000000 .00000000
.00377571 -.00095858 .00000000 .00000000 .00000000
.01983600 -.00513471 .00000000 .00000000 .00000000
.07420630 -.01926410 .00000000 .00000000 .00000000
.19732700 -.05359800 .00000000 .00000000 .00000000
.35185100 -.09603330 .00000000 .00000000 .00000000
.37868700 -.11818300 .00000000 .00000000 .00000000
.17093100 .00923194 .00000000 .00000000 .00000000
.01515870 .35884100 1.00000000 .00000000 .00000000
.00006720 .52581800 .00000000 1.00000000 .00000000
.00040549 .24887200 .00000000 .00000000 1.00000000
.2030000 .5040000 1.2500000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.3350000 .8690000
1.00000000 .00000000
.00000000 1.00000000
.6830000
1.00000000
CL:PVQZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 3 2 1 0
16 11 3 2 1 0
834900.0000000125000.0000000 28430.0000000 8033.0000000 2608.0000000
933.9000000 360.0000000 147.0000000 62.8800000 27.6000000
11.0800000 5.0750000 2.2780000 .7775000 .3527000
.1431000
.00002317 -.00000650 .00000197 .00000000 .00000000 .00000000
.00018015 -.00005049 .00001526 .00000000 .00000000 .00000000
.00094778 -.00026611 .00008061 .00000000 .00000000 .00000000
.00400139 -.00112499 .00033996 .00000000 .00000000 .00000000
.01446290 -.00410497 .00124551 .00000000 .00000000 .00000000
.04565860 -.01319870 .00399612 .00000000 .00000000 .00000000
.12324800 -.03753420 .01147510 .00000000 .00000000 .00000000
.26436900 -.08972330 .02755040 .00000000 .00000000 .00000000
.38298900 -.16767100 .05329170 .00000000 .00000000 .00000000
.27093400 -.17476300 .05712460 .00000000 .00000000 .00000000
.04714040 .11490900 -.03952010 .00000000 .00000000 .00000000
-.00371766 .56361800 -.26434300 .00000000 .00000000 .00000000
.00219158 .44160600 -.34929100 .00000000 .00000000 .00000000
-.00084985 .04266970 .26967100 1.00000000 .00000000 .00000000
.00042466 -.00667229 .67607300 .00000000 1.00000000 .00000000
-.00012002 .00190729 .28467900 .00000000 .00000000 1.00000000
1703.0000000 403.6000000 130.3000000 49.0500000 20.2600000
8.7870000 3.9190000 1.7650000 .7207000 .2839000
.1060000
.00047404 -.00012827 .00000000 .00000000 .00000000
.00406412 -.00109356 .00000000 .00000000 .00000000
.02133550 -.00583429 .00000000 .00000000 .00000000
.07946110 -.02192580 .00000000 .00000000 .00000000
.20892700 -.06013850 .00000000 .00000000 .00000000
.36494500 -.10692900 .00000000 .00000000 .00000000
.37172500 -.12245400 .00000000 .00000000 .00000000
.14629200 .03836190 .00000000 .00000000 .00000000
.01079060 .38525600 1.00000000 .00000000 .00000000
.00117004 .50726500 .00000000 1.00000000 .00000000
.00033941 .22721800 .00000000 .00000000 1.00000000
.2540000 .6280000 1.5510000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.4230000 1.0890000
1.00000000 .00000000
.00000000 1.00000000
.8270000
1.00000000
AR:PVQZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
6 5 3 2 1 0
16 11 3 2 1 0
950600.0000000142300.0000000 32360.0000000 9145.0000000 2970.0000000
1064.0000000 410.8000000 168.0000000 71.9900000 31.6700000
12.8900000 5.9290000 2.6780000 .9416000 .4239000
.1714000
.00002275 -.00000646 .00000202 .00000000 .00000000 .00000000
.00017694 -.00005023 .00001569 .00000000 .00000000 .00000000
.00093128 -.00026480 .00008286 .00000000 .00000000 .00000000
.00392860 -.00111895 .00034926 .00000000 .00000000 .00000000
.01420640 -.00408276 .00127976 .00000000 .00000000 .00000000
.04481140 -.01312160 .00410365 .00000000 .00000000 .00000000
.12100100 -.03728550 .01177890 .00000000 .00000000 .00000000
.26057900 -.08947090 .02838680 .00000000 .00000000 .00000000
.38136400 -.16805400 .05524060 .00000000 .00000000 .00000000
.27605800 -.17959400 .06074920 .00000000 .00000000 .00000000
.05051790 .10295300 -.03620120 .00000000 .00000000 .00000000
-.00359866 .56263000 -.27539800 .00000000 .00000000 .00000000
.00218798 .45035500 -.36284500 .00000000 .00000000 .00000000
-.00086236 .04606070 .27311800 1.00000000 .00000000 .00000000
.00040523 -.00603691 .68289900 .00000000 1.00000000 .00000000
-.00011616 .00188744 .28341700 .00000000 .00000000 1.00000000
1890.0000000 447.8000000 144.6000000 54.4600000 22.5100000
9.7740000 4.3680000 1.9590000 .8260000 .3297000
.1242000
.00049575 -.00013886 .00000000 .00000000 .00000000
.00425172 -.00118870 .00000000 .00000000 .00000000
.02232770 -.00632553 .00000000 .00000000 .00000000
.08308780 -.02388130 .00000000 .00000000 .00000000
.21711000 -.06492380 .00000000 .00000000 .00000000
.37450700 -.11544400 .00000000 .00000000 .00000000
.36644500 -.12365100 .00000000 .00000000 .00000000
.12924500 .06490550 .00000000 .00000000 .00000000
.00692249 .40363300 1.00000000 .00000000 .00000000
.00083615 .49059200 .00000000 1.00000000 .00000000
-.00015267 .20852800 .00000000 .00000000 1.00000000
.3110000 .7630000 1.8730000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.5430000 1.3250000
1.00000000 .00000000
.00000000 1.00000000
1.0070000
1.00000000
AL:PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 1 0 0 0
12 8 1 0 0 0
64150.0000000 9617.0000000 2189.0000000 620.5000000 202.7000000
73.1500000 28.5500000 11.7700000 3.3000000 1.1730000
.1752000 .0647300
.00029025 -.00007580 .00001751 .00000000
.00225064 -.00058179 .00013421 .00000000
.01164590 -.00308113 .00071244 .00000000
.04673770 -.01231120 .00284330 .00000000
.14629900 -.04197810 .00976842 .00000000
.33028300 -.10337100 .02418500 .00000000
.41586100 -.19630800 .04749930 .00000000
.18925300 -.08300020 .02036210 .00000000
.01158890 .54104000 -.15878800 .00000000
-.00128385 .57879600 -.31169400 .00000000
.00042588 .02881470 .62014700 .00000000
-.00019928 -.00953795 .52094300 1.00000000
258.8000000 60.8900000 19.1400000 6.8810000 2.5740000
.9572000 .2099000 .0598600
.00406847 -.00074805 .00000000
.03068150 -.00545796 .00000000
.12914900 -.02453710 .00000000
.32083100 -.05821380 .00000000
.45381500 -.09837560 .00000000
.27506600 -.02600640 .00000000
.01908070 .46402000 .00000000
-.00312848 .64887000 1.00000000
.1890000
1.00000000
AL:AUG-PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
5 4 2
13 9 2
64150.0000000 9617.0000000 2189.0000000 620.5000000 202.7000000
73.1500000 28.5500000 11.7700000 3.3000000 1.1730000
.1752000 .0647300 0.0231
.00029025 -.00007580 .00001751 .00000000
.00225064 -.00058179 .00013421 .00000000
.01164590 -.00308113 .00071244 .00000000
.04673770 -.01231120 .00284330 .00000000
.14629900 -.04197810 .00976842 .00000000
.33028300 -.10337100 .02418500 .00000000
.41586100 -.19630800 .04749930 .00000000
.18925300 -.08300020 .02036210 .00000000
.01158890 .54104000 -.15878800 .00000000
-.00128385 .57879600 -.31169400 .00000000
.00042588 .02881470 .62014700 .00000000
-.00019928 -.00953795 .52094300 1.00000000
.00000000 .00000000 .00000000 .00000000 1.00000000
258.8000000 60.8900000 19.1400000 6.8810000 2.5740000
.9572000 .2099000 .0598600 0.0153
.00406847 -.00074805 .00000000
.03068150 -.00545796 .00000000
.12914900 -.02453710 .00000000
.32083100 -.05821380 .00000000
.45381500 -.09837560 .00000000
.27506600 -.02600640 .00000000
.01908070 .46402000 .00000000
-.00312848 .64887000 1.00000000
.00000000 .00000000 1.00000000
.1890000 0.05350
1.00000000
.00000000 1.00000000
SI:PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 1 0 0 0
12 8 1 0 0 0
78860.0000000 11820.0000000 2692.0000000 763.4000000 249.6000000
90.2800000 35.2900000 14.5100000 4.0530000 1.4820000
.2517000 .0924300
.00027044 -.00007232 .00001851 .00000000
.00209717 -.00055512 .00014224 .00000000
.01085060 -.00293805 .00075219 .00000000
.04367540 -.01176870 .00302279 .00000000
.13765300 -.04029070 .01036770 .00000000
.31664400 -.10060900 .02625630 .00000000
.41858100 -.19652800 .05239890 .00000000
.21021200 -.10238200 .02909590 .00000000
.01449520 .52719000 -.17800300 .00000000
-.00203590 .59325100 -.34687400 .00000000
.00062419 .03326520 .62302000 .00000000
-.00028287 -.00973662 .53771200 1.00000000
315.9000000 74.4200000 23.4800000 8.4880000 3.2170000
1.2290000 .2964000 .0876800
.00392656 -.00085830 .00000000
.02988110 -.00630328 .00000000
.12721200 -.02882550 .00000000
.32094300 -.06945600 .00000000
.45542900 -.11949300 .00000000
.26856300 -.01995810 .00000000
.01883360 .51026800 .00000000
-.00262431 .60038200 1.00000000
.2750000
1.00000000
SI:AUG-PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
5 4 2
13 9 2
78860.0000000 11820.0000000 2692.0000000 763.4000000 249.6000000
90.2800000 35.2900000 14.5100000 4.0530000 1.4820000
.2517000 .0924300 0.0332
.00027044 -.00007232 .00001851 .00000000
.00209717 -.00055512 .00014224 .00000000
.01085060 -.00293805 .00075219 .00000000
.04367540 -.01176870 .00302279 .00000000
.13765300 -.04029070 .01036770 .00000000
.31664400 -.10060900 .02625630 .00000000
.41858100 -.19652800 .05239890 .00000000
.21021200 -.10238200 .02909590 .00000000
.01449520 .52719000 -.17800300 .00000000
-.00203590 .59325100 -.34687400 .00000000
.00062419 .03326520 .62302000 .00000000
-.00028287 -.00973662 .53771200 1.00000000
.00000000 .00000000 .00000000 .00000000 1.00000000
315.9000000 74.4200000 23.4800000 8.4880000 3.2170000
1.2290000 .2964000 .0876800 0.02500
.00392656 -.00085830 .00000000
.02988110 -.00630328 .00000000
.12721200 -.02882550 .00000000
.32094300 -.06945600 .00000000
.45542900 -.11949300 .00000000
.26856300 -.01995810 .00000000
.01883360 .51026800 .00000000
-.00262431 .60038200 1.00000000
.00000000 .00000000 .00000000 1.00000000
.2750000 0.08230
1.00000000
.00000000 1.00000000
P:PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 1 0 0 0
12 8 1 0 0 0
94840.0000000 14220.0000000 3236.0000000 917.1000000 299.5000000
108.1000000 42.1800000 17.2800000 4.8580000 1.8180000
.3372000 .1232000
.00025551 -.00006969 .00001912 .00000000
.00198193 -.00053527 .00014722 .00000000
.01027600 -.00283709 .00077791 .00000000
.04148230 -.01139830 .00314546 .00000000
.13198400 -.03929290 .01082000 .00000000
.30866200 -.09963640 .02799570 .00000000
.42064700 -.19798300 .05639780 .00000000
.22287800 -.11486000 .03581900 .00000000
.01640350 .51859500 -.19338700 .00000000
-.00254255 .60184700 -.37209700 .00000000
.00074805 .03686120 .62424600 .00000000
-.00033096 -.00970759 .55172100 1.00000000
370.5000000 87.3300000 27.5900000 10.0000000 3.8250000
1.4940000 .3921000 .1186000
.00395005 -.00095983 .00000000
.03024920 -.00711177 .00000000
.12955400 -.03271220 .00000000
.32759400 -.07957840 .00000000
.45699200 -.13501600 .00000000
.25308600 -.00910585 .00000000
.01687980 .53780200 .00000000
-.00207093 .56906600 1.00000000
.3730000
1.00000000
P:AUG-PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
5 4 2 0 0 0
13 9 2 0 0 0
94840.0000000 14220.0000000 3236.0000000 917.1000000 299.5000000
108.1000000 42.1800000 17.2800000 4.8580000 1.8180000
.3372000 .1232000 0.0417
.00025551 -.00006969 .00001912 .00000000
.00198193 -.00053527 .00014722 .00000000
.01027600 -.00283709 .00077791 .00000000
.04148230 -.01139830 .00314546 .00000000
.13198400 -.03929290 .01082000 .00000000
.30866200 -.09963640 .02799570 .00000000
.42064700 -.19798300 .05639780 .00000000
.22287800 -.11486000 .03581900 .00000000
.01640350 .51859500 -.19338700 .00000000
-.00254255 .60184700 -.37209700 .00000000
.00074805 .03686120 .62424600 .00000000
-.00033096 -.00970759 .55172100 1.00000000
.00000000 .00000000 .00000000 .00000000 1.00000000
370.5000000 87.3300000 27.5900000 10.0000000 3.8250000
1.4940000 .3921000 .1186000 0.03430
.00395005 -.00095983 .00000000
.03024920 -.00711177 .00000000
.12955400 -.03271220 .00000000
.32759400 -.07957840 .00000000
.45699200 -.13501600 .00000000
.25308600 -.00910585 .00000000
.01687980 .53780200 .00000000
-.00207093 .56906600 1.00000000
.00000000 .00000000 .00000000 1.00000000
.3730000 0.11300
1.00000000
0.00000000 1.00000000
S:PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 1 0 0 0
12 8 1 0 0 0
110800.0000000 16610.0000000 3781.0000000 1071.0000000 349.8000000
126.3000000 49.2600000 20.1600000 5.7200000 2.1820000
.4327000 .1570000
.00024764 -.00006870 .00001991 .00000000
.00192026 -.00052768 .00015348 .00000000
.00996192 -.00279671 .00080950 .00000000
.04029750 -.01126510 .00328974 .00000000
.12860400 -.03888340 .01129670 .00000000
.30348000 -.09950250 .02963850 .00000000
.42143200 -.19974000 .05998510 .00000000
.23078100 -.12336000 .04132480 .00000000
.01789710 .51319400 -.20747400 .00000000
-.00297516 .60712000 -.39288900 .00000000
.00084952 .03967530 .63284000 .00000000
-.00036794 -.00946864 .55692400 1.00000000
399.7000000 94.1900000 29.7500000 10.7700000 4.1190000
1.6250000 .4726000 .1407000
.00447541 -.00116251 .00000000
.03417080 -.00865664 .00000000
.14425000 -.03908860 .00000000
.35392800 -.09346250 .00000000
.45908500 -.14799400 .00000000
.20638300 .03019040 .00000000
.01021410 .56157300 .00000000
-.00006031 .53477600 1.00000000
.4790000
1.00000000
S:AUG-PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
5 4 2
13 9 2
110800.0000000 16610.0000000 3781.0000000 1071.0000000 349.8000000
126.3000000 49.2600000 20.1600000 5.7200000 2.1820000
.4327000 .1570000 0.05070
.00024764 -.00006870 .00001991 .00000000
.00192026 -.00052768 .00015348 .00000000
.00996192 -.00279671 .00080950 .00000000
.04029750 -.01126510 .00328974 .00000000
.12860400 -.03888340 .01129670 .00000000
.30348000 -.09950250 .02963850 .00000000
.42143200 -.19974000 .05998510 .00000000
.23078100 -.12336000 .04132480 .00000000
.01789710 .51319400 -.20747400 .00000000
-.00297516 .60712000 -.39288900 .00000000
.00084952 .03967530 .63284000 .00000000
-.00036794 -.00946864 .55692400 1.00000000
.00000000 .00000000 .00000000 .00000000 1.00000000
399.7000000 94.1900000 29.7500000 10.7700000 4.1190000
1.6250000 .4726000 .1407000 0.03990
.00447541 -.00116251 .00000000
.03417080 -.00865664 .00000000
.14425000 -.03908860 .00000000
.35392800 -.09346250 .00000000
.45908500 -.14799400 .00000000
.20638300 .03019040 .00000000
.01021410 .56157300 .00000000
-.00006031 .53477600 1.00000000
.00000000 .00000000 .00000000 1.00000000
.4790000 0.15200
1.00000000
.00000000 1.00000000
CL:PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 1 0 0 0
12 8 1 0 0 0
127900.0000000 19170.0000000 4363.0000000 1236.0000000 403.6000000
145.7000000 56.8100000 23.2300000 6.6440000 2.5750000
.5371000 .1938000
.00024115 -.00006789 .00002050 .00000000
.00187095 -.00052184 .00015830 .00000000
.00970827 -.00276513 .00083364 .00000000
.03931530 -.01115370 .00339880 .00000000
.12593200 -.03859190 .01167380 .00000000
.29934100 -.09948480 .03096220 .00000000
.42188600 -.20139200 .06295330 .00000000
.23720100 -.13031300 .04602570 .00000000
.01915310 .50944300 -.21931200 .00000000
-.00334792 .61072500 -.40877300 .00000000
.00092988 .04215490 .63846500 .00000000
-.00039638 -.00923427 .56236200 1.00000000
417.6000000 98.3300000 31.0400000 11.1900000 4.2490000
1.6240000 .5322000 .1620000
.00525982 -.00143570 .00000000
.03983320 -.01077960 .00000000
.16465500 -.04700750 .00000000
.38732200 -.11103000 .00000000
.45707200 -.15327500 .00000000
.15163600 .08946090 .00000000
.00181615 .57944400 .00000000
.00188296 .48327200 1.00000000
.6000000
1.00000000
CL:AUG-PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
5 4 2
13 9 2
127900.0000000 19170.0000000 4363.0000000 1236.0000000 403.6000000
145.7000000 56.8100000 23.2300000 6.6440000 2.5750000
.5371000 .1938000 0.06080
.00024115 -.00006789 .00002050 .00000000
.00187095 -.00052184 .00015830 .00000000
.00970827 -.00276513 .00083364 .00000000
.03931530 -.01115370 .00339880 .00000000
.12593200 -.03859190 .01167380 .00000000
.29934100 -.09948480 .03096220 .00000000
.42188600 -.20139200 .06295330 .00000000
.23720100 -.13031300 .04602570 .00000000
.01915310 .50944300 -.21931200 .00000000
-.00334792 .61072500 -.40877300 .00000000
.00092988 .04215490 .63846500 .00000000
-.00039638 -.00923427 .56236200 1.00000000
.00000000 .00000000 .00000000 .00000000 1.00000000
417.6000000 98.3300000 31.0400000 11.1900000 4.2490000
1.6240000 .5322000 .1620000 0.04660
.00525982 -.00143570 .00000000
.03983320 -.01077960 .00000000
.16465500 -.04700750 .00000000
.38732200 -.11103000 .00000000
.45707200 -.15327500 .00000000
.15163600 .08946090 .00000000
.00181615 .57944400 .00000000
.00188296 .48327200 1.00000000
.00000000 .00000000 .00000000 1.00000000
.6000000 0.19600
1.00000000
0.00000000 1.00000000
AR:PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 1 0 0 0
12 8 1 0 0 0
145700.0000000 21840.0000000 4972.0000000 1408.0000000 459.7000000
165.9000000 64.6900000 26.4400000 7.6280000 2.9960000
.6504000 .2337000
.00023670 -.00006749 .00002105 .00000000
.00183523 -.00051852 .00016257 .00000000
.00952860 -.00274825 .00085546 .00000000
.03862830 -.01110070 .00349745 .00000000
.12408100 -.03848200 .01201560 .00000000
.29647100 -.09975990 .03213680 .00000000
.42206800 -.20308800 .06552790 .00000000
.24171100 -.13560800 .04993700 .00000000
.02005090 .50719500 -.22976900 .00000000
-.00361000 .61289800 -.42100600 .00000000
.00097561 .04429680 .64233100 .00000000
-.00041132 -.00899278 .56754000 1.00000000
453.7000000 106.8000000 33.7300000 12.1300000 4.5940000
1.6780000 .5909000 .1852000
.00570555 -.00160655 .00000000
.04304600 -.01217140 .00000000
.17659100 -.05207890 .00000000
.40686300 -.12373700 .00000000
.45254900 -.15161900 .00000000
.12280100 .14242500 .00000000
-.00445996 .58450100 .00000000
.00205225 .43754000 1.00000000
.7380000
1.00000000
AR:AUG-PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
5 4 2
13 9 2
145700.0000000 21840.0000000 4972.0000000 1408.0000000 459.7000000
165.9000000 64.6900000 26.4400000 7.6280000 2.9960000
.6504000 .2337000 0.0709000
.00023670 -.00006749 .00002105 .00000000
.00183523 -.00051852 .00016257 .00000000
.00952860 -.00274825 .00085546 .00000000
.03862830 -.01110070 .00349745 .00000000
.12408100 -.03848200 .01201560 .00000000
.29647100 -.09975990 .03213680 .00000000
.42206800 -.20308800 .06552790 .00000000
.24171100 -.13560800 .04993700 .00000000
.02005090 .50719500 -.22976900 .00000000
-.00361000 .61289800 -.42100600 .00000000
.00097561 .04429680 .64233100 .00000000
-.00041132 -.00899278 .56754000 1.00000000
.00000000 .00000000 .00000000 .00000000 1.00000000
453.7000000 106.8000000 33.7300000 12.1300000 4.5940000
1.6780000 .5909000 .1852000 0.0533000
.00570555 -.00160655 .00000000
.04304600 -.01217140 .00000000
.17659100 -.05207890 .00000000
.40686300 -.12373700 .00000000
.45254900 -.15161900 .00000000
.12280100 .14242500 .00000000
-.00445996 .58450100 .00000000
.00205225 .43754000 1.00000000
.00000000 .00000000 .00000000 1.000000000
.7380000 0.2400
1.00000000
0.00000000 1.00000000
AL:PVTZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 2 1
15 9 2 1
205500.0000000 30780.0000000 7006.0000000 1985.0000000 649.1000000
235.0000000 91.6200000 37.6700000 15.9100000 5.8500000
2.5420000 1.0570000 .2931000 .1455000 .0565000
.00006788 -.00001764 .00000407 .00000000 .00000000
.00052715 -.00013720 .00003166 .00000000 .00000000
.00276203 -.00071891 .00016612 .00000000 .00000000
.01147280 -.00301146 .00069499 .00000000 .00000000
.03981880 -.01060140 .00245511 .00000000 .00000000
.11504000 -.03213450 .00744598 .00000000 .00000000
.26088700 -.08031560 .01882530 .00000000 .00000000
.39638600 -.15679400 .03727720 .00000000 .00000000
.28459700 -.16837600 .04194960 .00000000 .00000000
.04445830 .12687900 -.03543750 .00000000 .00000000
-.00489838 .56149400 -.17513200 .00000000 .00000000
.00261253 .43661300 -.27620300 .00000000 .00000000
-.00108915 .03572930 .10872900 1.00000000 .00000000
.00072207 -.01145630 .65280900 .00000000 .00000000
-.00017849 .00220201 .39458700 .00000000 1.00000000
444.4000000 105.1000000 33.4700000 12.3300000 4.8690000
1.9610000 .7834000 .1888000 .0555700
.00162786 -.00028634 .00000000 .00000000
.01306870 -.00242308 .00000000 .00000000
.06123410 -.01086580 .00000000 .00000000
.18787000 -.03643070 .00000000 .00000000
.36045200 -.06410740 .00000000 .00000000
.40845400 -.09722390 .00000000 .00000000
.18864000 .01474370 1.00000000 .00000000
.00976514 .50344800 .00000000 .00000000
-.00115057 .59798400 .00000000 1.00000000
.1090000 .3330000
1.00000000 .00000000
.00000000 1.00000000
.2440000
1.00000000
SI:PVTZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 2 1 0 0
15 9 2 1 0 0
254900.0000000 38190.0000000 8690.0000000 2462.0000000 804.8000000
291.3000000 113.6000000 46.7500000 19.8200000 7.7080000
3.3400000 1.4020000 .4387000 .2070000 .0794400
.00006251 -.00001664 .00000426 .00000000 .00000000
.00048555 -.00012931 .00003311 .00000000 .00000000
.00254516 -.00067883 .00017401 .00000000 .00000000
.01058660 -.00284117 .00072757 .00000000 .00000000
.03687870 -.01005510 .00258333 .00000000 .00000000
.10747900 -.03057740 .00786354 .00000000 .00000000
.24793600 -.07772560 .02021550 .00000000 .00000000
.39092700 -.15423600 .04073200 .00000000 .00000000
.30202600 -.18036800 .04993580 .00000000 .00000000
.05592360 .07982180 -.02493960 .00000000 .00000000
-.00402406 .54744100 -.19035000 .00000000 .00000000
.00258030 .48011900 -.31835000 .00000000 .00000000
-.00103821 .04748460 .09480360 1.00000000 .00000000
.00060793 -.01069960 .68118000 .00000000 .00000000
-.00015402 .00219871 .39567200 .00000000 1.00000000
481.5000000 113.9000000 36.2300000 13.3400000 5.2520000
2.1200000 .8561000 .2528000 .0788900
.00192045 -.00040522 .00000000 .00000000
.01535520 -.00335896 .00000000 .00000000
.07139910 -.01528600 .00000000 .00000000
.21305200 -.04892180 .00000000 .00000000
.39035400 -.08550080 .00000000 .00000000
.39372100 -.11213700 .00000000 .00000000
.13256500 .06182740 1.00000000 .00000000
.00395630 .55191900 .00000000 .00000000
.00033162 .52349200 .00000000 1.00000000
.1590000 .4810000
1.00000000 .00000000
.00000000 1.00000000
.3360000
1.00000000
P:PVTZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 2 1 0 0
15 9 2 1 0 0
312400.0000000 46800.0000000 10650.0000000 3018.0000000 986.8000000
357.4000000 139.6000000 57.6300000 24.6000000 10.1200000
4.2830000 1.8050000 .6158000 .2782000 .1055000
.00005770 -.00001567 .00000431 .00000000 .00000000
.00044830 -.00012172 .00003342 .00000000 .00000000
.00234939 -.00063967 .00017589 .00000000 .00000000
.00978265 -.00267426 .00073434 .00000000 .00000000
.03414670 -.00949831 .00261775 .00000000 .00000000
.10020400 -.02893490 .00797852 .00000000 .00000000
.23437200 -.07451210 .02079400 .00000000 .00000000
.38243400 -.14993800 .04244460 .00000000 .00000000
.31808800 -.18946700 .05634360 .00000000 .00000000
.07077880 .03632700 -.01273580 .00000000 .00000000
-.00181799 .52881600 -.19649500 .00000000 .00000000
.00216180 .51911500 -.35355500 .00000000 .00000000
-.00083474 .06055470 .07414070 1.00000000 .00000000
.00043230 -.00925695 .70091200 .00000000 .00000000
-.00011425 .00210372 .40473900 .00000000 1.00000000
504.9000000 119.4000000 37.9600000 13.9500000 5.4570000
2.1770000 .8010000 .2877000 .0971400
.00233728 -.00055524 .00000000 .00000000
.01854100 -.00445913 .00000000 .00000000
.08496930 -.02063500 .00000000 .00000000
.24461500 -.06176940 .00000000 .00000000
.42276600 -.10892400 .00000000 .00000000
.36843900 -.10559900 .00000000 .00000000
.07727340 .15348300 1.00000000 .00000000
-.00379005 .57698100 .00000000 .00000000
.00159939 .42243900 .00000000 1.00000000
.2160000 .6520000
1.00000000 .00000000
.00000000 1.00000000
.4520000
1.00000000
S:PVTZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 2 1 0 0
15 9 2 1 0 0
374100.0000000 56050.0000000 12760.0000000 3615.0000000 1183.0000000
428.8000000 167.8000000 69.4700000 29.8400000 12.7200000
5.2440000 2.2190000 .7767000 .3490000 .1322000
.00005421 -.00001498 .00000435 .00000000 .00000000
.00042085 -.00011620 .00003371 .00000000 .00000000
.00220698 -.00061158 .00017767 .00000000 .00000000
.00919258 -.00255370 .00074112 .00000000 .00000000
.03211230 -.00908708 .00264591 .00000000 .00000000
.09466830 -.02770450 .00807487 .00000000 .00000000
.22363000 -.07200200 .02122760 .00000000 .00000000
.37439300 -.14643900 .04383230 .00000000 .00000000
.32910800 -.19515000 .06127160 .00000000 .00000000
.08470380 .00819193 -.00361510 .00000000 .00000000
.00044085 .51660100 -.20451000 .00000000 .00000000
.00164827 .54217800 -.38187100 .00000000 .00000000
-.00062233 .06884300 .08268440 1.00000000 .00000000
.00030131 -.00918072 .71414700 .00000000 .00000000
-.00008413 .00226832 .39379100 .00000000 1.00000000
574.4000000 135.8000000 43.1900000 15.8700000 6.2080000
2.4830000 .8688000 .3229000 .1098000
.00242264 -.00062010 .00000000 .00000000
.01927960 -.00493882 .00000000 .00000000
.08854010 -.02326470 .00000000 .00000000
.25465400 -.06851950 .00000000 .00000000
.43398400 -.12389600 .00000000 .00000000
.35495300 -.09694990 .00000000 .00000000
.06189410 .22821500 1.00000000 .00000000
-.00502977 .56939400 .00000000 .00000000
.00209813 .36630200 .00000000 1.00000000
.2690000 .8190000
1.00000000 .00000000
.00000000 1.00000000
.5570000
1.00000000
CL:PVTZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 2 1 0 0
15 9 2 1 0 0
456100.0000000 68330.0000000 15550.0000000 4405.0000000 1439.0000000
520.4000000 203.1000000 83.9600000 36.2000000 15.8300000
6.3340000 2.6940000 .9768000 .4313000 .1625000
.00004930 -.00001383 .00000419 .00000000 .00000000
.00038303 -.00010728 .00003244 .00000000 .00000000
.00200854 -.00056508 .00017111 .00000000 .00000000
.00838558 -.00236135 .00071418 .00000000 .00000000
.02947030 -.00845886 .00256705 .00000000 .00000000
.08783250 -.02596380 .00788552 .00000000 .00000000
.21147300 -.06863620 .02108670 .00000000 .00000000
.36536400 -.14187400 .04422640 .00000000 .00000000
.34088400 -.19931900 .06516700 .00000000 .00000000
.10213300 -.01956620 .00603012 .00000000 .00000000
.00311675 .49974100 -.20649500 .00000000 .00000000
.00105751 .56373600 -.40587100 .00000000 .00000000
-.00037800 .07903250 .07595580 1.00000000 .00000000
.00015614 -.00835091 .72566100 .00000000 .00000000
-.00005141 .00232456 .39442300 .00000000 1.00000000
663.3000000 156.8000000 49.9800000 18.4200000 7.2400000
2.9220000 1.0220000 .3818000 .1301000
.00240448 -.00065215 .00000000 .00000000
.01921480 -.00519445 .00000000 .00000000
.08850970 -.02469380 .00000000 .00000000
.25602000 -.07281670 .00000000 .00000000
.43692700 -.13403000 .00000000 .00000000
.35033400 -.09477420 .00000000 .00000000
.05854950 .26228900 1.00000000 .00000000
-.00458423 .56466700 .00000000 .00000000
.00226970 .34125000 .00000000 1.00000000
1.0460000 .3440000
1.00000000 .00000000
.00000000 1.00000000
.7060000
1.00000000
AR:PVTZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
5 4 2 1 0 0
15 9 2 1 0 0
545000.0000000 81640.0000000 18580.0000000 5261.0000000 1717.0000000
619.9000000 241.6000000 99.7900000 43.1500000 19.1400000
7.4880000 3.2050000 1.1960000 .5204000 .1954000
.00004558 -.00001296 .00000405 .00000000 .00000000
.00035411 -.00010043 .00003137 .00000000 .00000000
.00185797 -.00052958 .00016565 .00000000 .00000000
.00776851 -.00221396 .00069166 .00000000 .00000000
.02742320 -.00796845 .00249790 .00000000 .00000000
.08238360 -.02458030 .00771074 .00000000 .00000000
.20123000 -.06577980 .02087140 .00000000 .00000000
.35678100 -.13794200 .04439650 .00000000 .00000000
.34956300 -.20163000 .06802240 .00000000 .00000000
.11826600 -.04128340 .01413500 .00000000 .00000000
.00560190 .48468000 -.20748900 .00000000 .00000000
.00048347 .57922400 -.42504500 .00000000 .00000000
-.00014809 .08790830 .07048550 1.00000000 .00000000
.00002920 -.00727553 .73362700 .00000000 .00000000
-.00002316 .00232884 .39600500 .00000000 1.00000000
761.8000000 180.2000000 57.5000000 21.2400000 8.3880000
3.4160000 1.2060000 .4523000 .1545000
.00236976 -.00066721 .00000000 .00000000
.01901990 -.00532717 .00000000 .00000000
.08808070 -.02554940 .00000000 .00000000
.25637700 -.07571970 .00000000 .00000000
.43871100 -.14113300 .00000000 .00000000
.34756900 -.09327680 .00000000 .00000000
.05667400 .28287200 1.00000000 .00000000
-.00523882 .56245000 .00000000 .00000000
.00164376 .32505900 .00000000 1.00000000
.4100000 1.2540000
1.00000000 .00000000
.00000000 1.00000000
.8900000
1.00000000
AL:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
7 6 4 3 2 1
20 12 4 3 2 1
3269000.000000489400.0000000111400.0000000 31560.0000000 10320.0000000
3731.000000 1456.0000000 604.1000000 263.5000000 119.8000000
56.320000 27.1900000 13.2600000 6.0520000 2.9810000
1.476000 .7334000 .2447000 .1088000 .0467200
.00000214 -.00000056 .00000013 .00000000 .00000000 .00000000 .00000000
.00001663 -.00000432 .00000100 .00000000 .00000000 .00000000 .00000000
.00008752 -.00002274 .00000525 .00000000 .00000000 .00000000 .00000000
.00036899 -.00009601 .00002214 .00000000 .00000000 .00000000 .00000000
.00133903 -.00034838 .00008055 .00000000 .00000000 .00000000 .00000000
.00435636 -.00113836 .00026251 .00000000 .00000000 .00000000 .00000000
.01289550 -.00338744 .00078422 .00000000 .00000000 .00000000 .00000000
.03482010 -.00931505 .00215039 .00000000 .00000000 .00000000 .00000000
.08435300 -.02330230 .00541974 .00000000 .00000000 .00000000 .00000000
.17590700 -.05234860 .01216860 .00000000 .00000000 .00000000 .00000000
.29209100 -.09994990 .02368230 .00000000 .00000000 .00000000 .00000000
.32822000 -.15056000 .03609370 .00000000 .00000000 .00000000 .00000000
.18692700 -.11912100 .03032840 .00000000 .00000000 .00000000 .00000000
.03104300 .10809100 -.03090340 .00000000 .00000000 .00000000 .00000000
-.00050892 .41112900 -.11912600 .00000000 .00000000 .00000000 .00000000
.00148836 .45721400 -.21114500 .00000000 .00000000 .00000000 .00000000
-.00027824 .17593800 -.15794400 1.00000000 .00000000 .00000000 .00000000
.00011875 .00770610 .33903800 .00000000 1.00000000 .00000000 .00000000
-.00006615 -.00166168 .61309700 .00000000 .00000000 1.00000000 .00000000
.00001760 .00044535 .23516800 .00000000 .00000000 .00000000 1.00000000
1461.0000000 346.2000000 112.2000000 42.5100000 17.7200000
7.8520000 3.5710000 1.6370000 .7382000 .2577000
.0977300 .0369000
.00020861 -.00003719 .00000000 .00000000 .00000000 .00000000
.00181005 -.00032856 .00000000 .00000000 .00000000 .00000000
.00973433 -.00174264 .00000000 .00000000 .00000000 .00000000
.03782660 -.00694828 .00000000 .00000000 .00000000 .00000000
.11089800 -.02028070 .00000000 .00000000 .00000000 .00000000
.23429500 -.04486570 .00000000 .00000000 .00000000 .00000000
.34524500 -.06432780 .00000000 .00000000 .00000000 .00000000
.33143000 -.07526660 .00000000 .00000000 .00000000 .00000000
.14706400 .00061601 1.00000000 .00000000 .00000000 .00000000
.01214110 .28781900 .00000000 1.00000000 .00000000 .00000000
-.00087164 .54303000 .00000000 .00000000 1.00000000 .00000000
.00043796 .30186500 .00000000 .00000000 .00000000 1.00000000
1.3170000 .5260000 .2100000 .0840000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
.1300000 .2580000 .5130000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.2520000 .5430000
1.00000000 .00000000
.00000000 1.00000000
.4460000
1.00000000
SI:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
7 6 4 3 2 1
20 12 4 3 2 1
3948000.000000591100.0000000134500.0000000 38120.0000000 12460.0000000
4504.000000 1758.0000000 729.1000000 318.0000000 144.6000000
67.970000 32.8200000 16.0300000 7.3960000 3.6610000
1.823000 .9147000 .3393000 .1500000 .0643800
.00000204 -.00000054 .00000014 .00000000 .00000000 .00000000 .00000000
.00001584 -.00000422 .00000108 .00000000 .00000000 .00000000 .00000000
.00008336 -.00002218 .00000569 .00000000 .00000000 .00000000 .00000000
.00035136 -.00009360 .00002395 .00000000 .00000000 .00000000 .00000000
.00127660 -.00034012 .00008724 .00000000 .00000000 .00000000 .00000000
.00415191 -.00111061 .00028416 .00000000 .00000000 .00000000 .00000000
.01230300 -.00330878 .00084984 .00000000 .00000000 .00000000 .00000000
.03331020 -.00911602 .00233527 .00000000 .00000000 .00000000 .00000000
.08098450 -.02287900 .00590466 .00000000 .00000000 .00000000 .00000000
.17029000 -.05171190 .01334610 .00000000 .00000000 .00000000 .00000000
.28687900 -.09990910 .02628890 .00000000 .00000000 .00000000 .00000000
.33034000 -.15274700 .04074260 .00000000 .00000000 .00000000 .00000000
.19660200 -.12750800 .03614760 .00000000 .00000000 .00000000 .00000000
.03545350 .09469630 -.03039230 .00000000 .00000000 .00000000 .00000000
-.00053520 .41403600 -.13596100 .00000000 .00000000 .00000000 .00000000
.00161465 .46793400 -.25014400 .00000000 .00000000 .00000000 .00000000
-.00037274 .17392700 -.15805000 1.00000000 .00000000 .00000000 .00000000
.00014623 .00843895 .36965500 .00000000 1.00000000 .00000000 .00000000
-.00007894 -.00099807 .61771800 .00000000 .00000000 1.00000000 .00000000
.00001928 .00036210 .22251400 .00000000 .00000000 .00000000 1.00000000
1780.0000000 421.8000000 136.7000000 51.8100000 21.6000000
9.5630000 4.3500000 2.0060000 .9205000 .3500000
.1381000 .0533800
.00020121 -.00004272 .00000000 .00000000 .00000000 .00000000
.00174937 -.00037704 .00000000 .00000000 .00000000 .00000000
.00948141 -.00202240 .00000000 .00000000 .00000000 .00000000
.03723130 -.00812833 .00000000 .00000000 .00000000 .00000000
.11076300 -.02422720 .00000000 .00000000 .00000000 .00000000
.23793300 -.05438250 .00000000 .00000000 .00000000 .00000000
.35369100 -.07990510 .00000000 .00000000 .00000000 .00000000
.32883900 -.08889580 .00000000 .00000000 .00000000 .00000000
.13237300 .01839970 1.00000000 .00000000 .00000000 .00000000
.01033000 .33509600 .00000000 1.00000000 .00000000 .00000000
-.00015030 .53228800 .00000000 .00000000 1.00000000 .00000000
.00026581 .25437400 .00000000 .00000000 .00000000 1.00000000
.1260000 .3210000 .8170000 2.0820000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
.1690000 .3410000 .6880000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.3200000 .7050000
1.00000000 .00000000
.00000000 1.00000000
.5830000
1.00000000
P:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
7 6 4 3 2 1
20 12 4 3 2 1
4666000.000000698600.0000000159000.0000000 45040.0000000 14720.0000000
5323.000000 2076.0000000 861.1000000 375.7000000 170.8000000
80.290000 38.7700000 18.9300000 8.7960000 4.3580000
2.174000 1.0950000 .4400000 .1945000 .0837600
.00000197 -.00000053 .00000015 .00000000 .00000000 .00000000 .00000000
.00001530 -.00000415 .00000114 .00000000 .00000000 .00000000 .00000000
.00008048 -.00002185 .00000601 .00000000 .00000000 .00000000 .00000000
.00033974 -.00009233 .00002534 .00000000 .00000000 .00000000 .00000000
.00123291 -.00033511 .00009216 .00000000 .00000000 .00000000 .00000000
.00401345 -.00109508 .00030056 .00000000 .00000000 .00000000 .00000000
.01191240 -.00326798 .00089988 .00000000 .00000000 .00000000 .00000000
.03225110 -.00899951 .00247354 .00000000 .00000000 .00000000 .00000000
.07866430 -.02265280 .00626812 .00000000 .00000000 .00000000 .00000000
.16645800 -.05146500 .01425980 .00000000 .00000000 .00000000 .00000000
.28303900 -.10018600 .02827690 .00000000 .00000000 .00000000 .00000000
.33194200 -.15507500 .04451240 .00000000 .00000000 .00000000 .00000000
.20335200 -.13381800 .04072170 .00000000 .00000000 .00000000 .00000000
.03831830 .08783610 -.03019080 .00000000 .00000000 .00000000 .00000000
-.00038472 .42258100 -.15289400 .00000000 .00000000 .00000000 .00000000
.00158744 .47489900 -.28241100 .00000000 .00000000 .00000000 .00000000
-.00041338 .16500200 -.14852200 1.00000000 .00000000 .00000000 .00000000
.00015284 .00846862 .39356300 .00000000 1.00000000 .00000000 .00000000
-.00008270 -.00029176 .61732700 .00000000 .00000000 1.00000000 .00000000
.00001841 .00028534 .21461200 .00000000 .00000000 .00000000 1.00000000
2010.0000000 476.3000000 154.4000000 58.5100000 24.4000000
10.8000000 4.9130000 2.2690000 1.0430000 .4313000
.1767000 .0700900
.00021592 -.00005114 .00000000 .00000000 .00000000 .00000000
.00187536 -.00044836 .00000000 .00000000 .00000000 .00000000
.01017420 -.00242340 .00000000 .00000000 .00000000 .00000000
.03998560 -.00969826 .00000000 .00000000 .00000000 .00000000
.11856300 -.02909650 .00000000 .00000000 .00000000 .00000000
.25181600 -.06417260 .00000000 .00000000 .00000000 .00000000
.36656500 -.09450710 .00000000 .00000000 .00000000 .00000000
.31617700 -.09347000 .00000000 .00000000 .00000000 .00000000
.10470000 .05206110 1.00000000 .00000000 .00000000 .00000000
.00609862 .37462400 .00000000 1.00000000 .00000000 .00000000
.00050208 .50909700 .00000000 .00000000 1.00000000 .00000000
-.00002956 .21511600 .00000000 .00000000 .00000000 1.00000000
.1660000 .4180000 1.0540000 2.6560000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
.2190000 .4500000 .9230000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.4120000 .9030000
1.00000000 .00000000
.00000000 1.00000000
.7450000
1.00000000
S:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
7 6 4 3 2 1
20 12 4 3 2 1
5481000.000000820600.0000000186700.0000000 52880.0000000 17250.0000000
6226.000000 2429.0000000 1007.0000000 439.5000000 199.8000000
93.920000 45.3400000 22.1500000 10.3400000 5.1190000
2.553000 1.2820000 .5450000 .2411000 .1035000
.00000189 -.00000052 .00000015 .00000000 .00000000 .00000000 .00000000
.00001472 -.00000407 .00000118 .00000000 .00000000 .00000000 .00000000
.00007751 -.00002141 .00000622 .00000000 .00000000 .00000000 .00000000
.00032722 -.00009045 .00002624 .00000000 .00000000 .00000000 .00000000
.00119365 -.00033008 .00009590 .00000000 .00000000 .00000000 .00000000
.00388393 -.00107782 .00031268 .00000000 .00000000 .00000000 .00000000
.01153360 -.00321874 .00093632 .00000000 .00000000 .00000000 .00000000
.03127480 -.00887217 .00257790 .00000000 .00000000 .00000000 .00000000
.07643870 -.02237710 .00654121 .00000000 .00000000 .00000000 .00000000
.16270000 -.05105770 .01496300 .00000000 .00000000 .00000000 .00000000
.27932800 -.10022500 .02989400 .00000000 .00000000 .00000000 .00000000
.33314500 -.15679500 .04769460 .00000000 .00000000 .00000000 .00000000
.20983600 -.13974800 .04495560 .00000000 .00000000 .00000000 .00000000
.04159740 .08100590 -.02930090 .00000000 .00000000 .00000000 .00000000
-.00045055 .43088300 -.16891600 .00000000 .00000000 .00000000 .00000000
.00168855 .48168800 -.31101400 .00000000 .00000000 .00000000 .00000000
-.00051724 .15686200 -.13649100 1.00000000 .00000000 .00000000 .00000000
.00018877 .00788814 .42319500 .00000000 1.00000000 .00000000 .00000000
-.00009977 .00039353 .61388800 .00000000 .00000000 1.00000000 .00000000
.00002090 .00022376 .20047300 .00000000 .00000000 .00000000 1.00000000
2200.0000000 521.4000000 169.0000000 64.0500000 26.7200000
11.8300000 5.3780000 2.4820000 1.1160000 .4848000
.2006000 .0795100
.00023905 -.00006086 .00000000 .00000000 .00000000 .00000000
.00207686 -.00053042 .00000000 .00000000 .00000000 .00000000
.01123630 -.00287915 .00000000 .00000000 .00000000 .00000000
.04406900 -.01143970 .00000000 .00000000 .00000000 .00000000
.12916800 -.03427640 .00000000 .00000000 .00000000 .00000000
.26908300 -.07358110 .00000000 .00000000 .00000000 .00000000
.37861100 -.10778200 .00000000 .00000000 .00000000 .00000000
.29677900 -.08797690 .00000000 .00000000 .00000000 .00000000
.07796760 .10826100 1.00000000 .00000000 .00000000 .00000000
.00205193 .40708200 .00000000 1.00000000 .00000000 .00000000
.00143602 .46899400 .00000000 .00000000 1.00000000 .00000000
-.00005960 .18487700 .00000000 .00000000 .00000000 1.00000000
.2050000 .5120000 1.2810000 3.2030000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
.2550000 .5290000 1.0960000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.4630000 1.0710000
1.00000000 .00000000
.00000000 1.00000000
.8720000
1.00000000
CL:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
7 6 4 3 2 1
20 12 4 3 2 1
6410000.000000959600.0000000218300.0000000 61810.0000000 20140.0000000
7264.000000 2832.0000000 1175.0000000 512.6000000 233.0000000
109.500000 52.8600000 25.8400000 12.1700000 6.0300000
3.012000 1.5110000 .6604000 .2926000 .1254000
.00000181 -.00000051 .00000015 .00000000 .00000000 .00000000 .00000000
.00001411 -.00000396 .00000120 .00000000 .00000000 .00000000 .00000000
.00007424 -.00002081 .00000630 .00000000 .00000000 .00000000 .00000000
.00031413 -.00008812 .00002664 .00000000 .00000000 .00000000 .00000000
.00114642 -.00032174 .00009742 .00000000 .00000000 .00000000 .00000000
.00373888 -.00105277 .00031836 .00000000 .00000000 .00000000 .00000000
.01109460 -.00314183 .00095238 .00000000 .00000000 .00000000 .00000000
.03011520 -.00866363 .00262430 .00000000 .00000000 .00000000 .00000000
.07391450 -.02193530 .00668160 .00000000 .00000000 .00000000 .00000000
.15825800 -.05025840 .01535950 .00000000 .00000000 .00000000 .00000000
.27475300 -.09954140 .03094320 .00000000 .00000000 .00000000 .00000000
.33406600 -.15764700 .05006380 .00000000 .00000000 .00000000 .00000000
.21758900 -.14602400 .04897820 .00000000 .00000000 .00000000 .00000000
.04572780 .06922300 -.02608070 .00000000 .00000000 .00000000 .00000000
-.00013474 .43041200 -.17842600 .00000000 .00000000 .00000000 .00000000
.00163933 .49080200 -.33232400 .00000000 .00000000 .00000000 .00000000
-.00052221 .15839000 -.13200800 1.00000000 .00000000 .00000000 .00000000
.00018065 .00839885 .44055600 .00000000 1.00000000 .00000000 .00000000
-.00009993 .00076848 .61189100 .00000000 .00000000 1.00000000 .00000000
.00001922 .00022715 .19317200 .00000000 .00000000 .00000000 1.00000000
2548.0000000 603.7000000 195.6000000 74.1500000 30.9400000
13.6900000 6.2290000 2.8780000 1.2820000 .5641000
.2348000 .0931200
.00023570 -.00006354 .00000000 .00000000 .00000000 .00000000
.00205158 -.00055326 .00000000 .00000000 .00000000 .00000000
.01115430 -.00302795 .00000000 .00000000 .00000000 .00000000
.04398160 -.01206500 .00000000 .00000000 .00000000 .00000000
.12999400 -.03663480 .00000000 .00000000 .00000000 .00000000
.27295900 -.07907640 .00000000 .00000000 .00000000 .00000000
.38369000 -.11742200 .00000000 .00000000 .00000000 .00000000
.29187000 -.08609430 .00000000 .00000000 .00000000 .00000000
.07044640 .14030800 1.00000000 .00000000 .00000000 .00000000
.00128761 .42233600 .00000000 1.00000000 .00000000 .00000000
.00182623 .44636300 .00000000 .00000000 1.00000000 .00000000
.00001990 .16663400 .00000000 .00000000 .00000000 1.00000000
.2500000 .6180000 1.5290000 3.7810000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
.3200000 .6560000 1.3450000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.5560000 1.3020000
1.00000000 .00000000
.00000000 1.00000000
1.0530000
1.00000000
AR:PV5Z
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
6
0 1 2 3 4 5
7 6 4 3 2 1
20 12 4 3 2 1
7401000.0000001108000.000000252100.0000000 71380.0000000 23260.0000000
8390.000000 3271.0000000 1357.0000000 592.0000000 269.1000000
126.500000 61.0300000 29.8600000 14.1700000 7.0220000
3.511000 1.7580000 .7841000 .3480000 .1491000
.00000175 -.00000052 .00000000 .00000000 .00000000 .00000000 .00000000
.00001361 -.00000405 .00000002 .00000000 .00000000 .00000000 .00000000
.00007163 -.00002130 .00000010 .00000000 .00000000 .00000000 .00000000
.00030304 -.00009017 .00000038 .00000000 .00000000 .00000000 .00000000
.00110610 -.00032937 .00000151 .00000000 .00000000 .00000000 .00000000
.00360679 -.00107715 .00000459 .00000000 .00000000 .00000000 .00000000
.01071340 -.00321892 .00001550 .00000000 .00000000 .00000000 .00000000
.02910740 -.00887845 .00004067 .00000000 .00000000 .00000000 .00000000
.07166170 -.02255450 .00013134 .00000000 .00000000 .00000000 .00000000
.15414400 -.05184530 .00033268 .00000000 .00000000 .00000000 .00000000
.27042300 -.10372200 .00106670 .00000000 .00000000 .00000000 .00000000
.33486200 -.16659500 .00257210 .00000000 .00000000 .00000000 .00000000
.22434700 -.16016500 .00483584 .00000000 .00000000 .00000000 .00000000
.05000810 .06236540 -.00385728 .00000000 .00000000 .00000000 .00000000
.00014973 .46553400 -.04761250 .00000000 .00000000 .00000000 .00000000
.00210369 .58156400 -.18295700 .00000000 .00000000 .00000000 .00000000
-.00041073 .19136900 -.07328200 1.00000000 .00000000 .00000000 .00000000
-.00088862 -.12856600 .43482200 .00000000 1.00000000 .00000000 .00000000
-.00156236 -.18321600 .58171100 .00000000 .00000000 1.00000000 .00000000
-.00042684 -.05662660 .17937300 .00000000 .00000000 .00000000 1.00000000
2927.0000000 693.5000000 224.7000000 85.1700000 35.5300000
15.7300000 7.1650000 3.3220000 1.4780000 .6552000
.2751000 .1097000
.00018834 -.00015021 .00000000 .00000000 .00000000 .00000000
.00164288 -.00130928 .00000000 .00000000 .00000000 .00000000
.00894893 -.00716501 .00000000 .00000000 .00000000 .00000000
.03551110 -.02857230 .00000000 .00000000 .00000000 .00000000
.10514700 -.08601580 .00000000 .00000000 .00000000 .00000000
.22155200 -.18399600 .00000000 .00000000 .00000000 .00000000
.30841200 -.26584400 .00000000 .00000000 .00000000 .00000000
.23220300 -.18874100 .00000000 .00000000 .00000000 .00000000
.12447800 .12537800 1.00000000 .00000000 .00000000 .00000000
.16831000 .39724600 .00000000 1.00000000 .00000000 .00000000
.16829200 .39465800 .00000000 .00000000 1.00000000 .00000000
.05979810 .14191700 .00000000 .00000000 .00000000 1.00000000
.3090000 .7700000 1.9170000 4.7760000
1.00000000 .00000000 .00000000 .00000000
.00000000 1.00000000 .00000000 .00000000
.00000000 .00000000 1.00000000 .00000000
.00000000 .00000000 .00000000 1.00000000
.4080000 .8250000 1.6680000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
.6650000 1.5620000
1.00000000 .00000000
.00000000 1.00000000
1.2640000
1.00000000
NE:PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
3 2 1
9 4 1
17880.0000000 2683.0000000 611.5000000 173.5000000 56.6400000
20.4200000 7.8100000 1.6530000 .4869000
.00073800 -.00017200 .00000000
.00567700 -.00135700 .00000000
.02888300 -.00673700 .00000000
.10854000 -.02766300 .00000000
.29090700 -.07620800 .00000000
.44832400 -.17522700 .00000000
.25802600 -.10703800 .00000000
.01506300 .56705000 .00000000
-.00210000 .56521600 1.00000000
28.3900000 6.2700000 1.6950000 .4317000
.04608700 .00000000
.24018100 .00000000
.50874400 .00000000
.45566000 1.00000000
2.2020000
1.00000000
NE:AUG-PVDZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
3
0 1 2
4 3 2
10 5 2
17880.0000000 2683.0000000 611.5000000 173.5000000 56.6400000
20.4200000 7.8100000 1.6530000 .4869000 0.1230000
.00073800 -.00017200 .00000000
.00567700 -.00135700 .00000000
.02888300 -.00673700 .00000000
.10854000 -.02766300 .00000000
.29090700 -.07620800 .00000000
.44832400 -.17522700 .00000000
.25802600 -.10703800 .00000000
.01506300 .56705000 .00000000
-.00210000 .56521600 1.00000000
.00000000 .00000000 .00000000 1.00000000
28.3900000 6.2700000 1.6950000 .4317000 0.106400
.04608700 .00000000
.24018100 .00000000
.50874400 .00000000
.45566000 1.00000000
.00000000 .00000000 1.00000000
2.2020000 0.63100
1.00000000
.00000000 1.00000000
NE:PVTZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
4
0 1 2 3
4 3 2 1
10 5 2 1
24350.0000000 3650.0000000 829.6000000 234.0000000 75.6100000
26.7300000 9.9270000 2.8360000 1.1020000 .3782000
.00050200 -.00011800 .00000000 .00000000
.00388100 -.00091500 .00000000 .00000000
.01999700 -.00473700 .00000000 .00000000
.07841800 -.01923300 .00000000 .00000000
.22967600 -.06036900 .00000000 .00000000
.43272200 -.14250800 .00000000 .00000000
.35064200 -.17771000 .00000000 .00000000
.04391100 .17735200 1.00000000 .00000000
-.00764500 .60583600 .00000000 .00000000
.00237500 .36510900 .00000000 1.00000000
54.7000000 12.4300000 3.6790000 1.1430000 .3300000
.01715100 .00000000 .00000000
.10765600 .00000000 .00000000
.32168100 .00000000 .00000000
.48523200 1.00000000 .00000000
.33258400 .00000000 1.00000000
4.0140000 1.0960000
1.00000000 .00000000
.00000000 1.00000000
2.5440000
1.00000000
NE:PVQZ
JG DUNNING CORRELATION CONSISTENT BASIS FROM FTP
5
0 1 2 3 4
5 4 3 2 1 0
12 6 3 2 1 0
99920.0000000 14960.0000000 3399.0000000 958.9000000 311.2000000
111.7000000 43.3200000 17.8000000 7.5030000 2.3370000
.9001000 .3301000
.00008600 -.00002000 .00000000 .00000000 .00000000
.00066900 -.00015800 .00000000 .00000000 .00000000
.00351800 -.00082400 .00000000 .00000000 .00000000
.01466700 -.00350000 .00000000 .00000000 .00000000
.05096200 -.01223300 .00000000 .00000000 .00000000
.14374400 -.03701700 .00000000 .00000000 .00000000
.30456200 -.08611300 .00000000 .00000000 .00000000
.40010500 -.15838100 .00000000 .00000000 .00000000
.21864400 -.11428800 .00000000 .00000000 .00000000
.01866400 .29819100 1.00000000 .00000000 .00000000
-.00216700 .58578400 .00000000 1.00000000 .00000000
.00095100 .27246700 .00000000 .00000000 1.00000000
99.6800000 23.1500000 7.1080000 2.4410000 .8339000
.2662000
.00656600 .00000000 .00000000 .00000000
.04597900 .00000000 .00000000 .00000000
.17341900 .00000000 .00000000 .00000000
.36457100 1.00000000 .00000000 .00000000
.43818500 .00000000 1.00000000 .00000000
.24168000 .00000000 .00000000 1.00000000
6.4710000 2.2130000 .7470000
1.00000000 .00000000 .00000000
.00000000 1.00000000 .00000000
.00000000 .00000000 1.00000000
4.6570000 1.5240000
1.00000000 .00000000
.00000000 1.00000000
2.9830000
1.00000000
------------------------------------------------
THE CORRELATION CONSISTENT BASIS SET FTP LIBRARY
------------------------------------------------
The files in this directory contain the correlation consistent basis
sets for H, He, B-Ne, and Al-Ar broken down by basis set quality (size).
Each file contains extra information useful for benchmarking (note:
spherical harmonic rather than cartesian forms were used).
In publications please use the designations which we have assigned to
each level of basis set; this will minimize confusion. We also identify
the cc-pVDZ, cc-pVTZ, cc-pVQZ, and cc-pV5Z series as the "standard sets"
and refer to the group as cc-pVXZ sets. The series aug-cc-pVDZ,
aug-cc-pVTZ, aug-cc-pVQZ, and aug-cc-pV5Z are the "augmented sets" or
aug-cc-pVXZ sets.
The citations are:
(1) T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
[cc-pVXZ (X=D,T,Q) basis sets for hydrogen and the first row atoms
B-Ne]
(2) R.A. Kendall, T.H. Dunning, Jr., and R.J. Harrison, J. Chem. Phys.
96, 6796 (1992).
[aug-cc-pVXZ (X=D,T,Q) basis sets for H and B-Ne]
(3) D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993).
[cc-pVXZ and aug-cc-pVXZ (X=D,T,Q) sets for the second row atoms
Al-Ar]
(4) D.E. Woon, K.A. Peterson, and T.H. Dunning, Jr. (unpublished).
[cc-pVXZ (X=D,T,Q) basis sets for helium; cc-pV5Z and aug-cc-pV5Z
basis sets for H, B-Ne, and Al-Ar]
Please report any problems to David Feller (d3e102@pnlg.pnl.gov).
F:qzp
quadruple zeta basis plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 3 2 1 2 1 1
6 3 2 4 2 1 1
48666.4375240 7293.7458716 1659.8356438 469.6475330 152.4514378
53.9733279
.0001949 .0000000 .0000000 .0000000 .0000000 .0000000
.0015118 .0000000 .0000000 .0000000 .0000000 .0000000
.0078828 .0000000 .0000000 .0000000 .0000000 .0000000
.0323527 .0000000 .0000000 .0000000 .0000000 .0000000
.1086657 .0000000 .0000000 .0000000 .0000000 .0000000
.2894814 .0000000 .0000000 .0000000 .0000000 .0000000
20.0175861 7.5598266 1.9766590
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.8000374 .2873812
1.0000000 .0000000
.0000000 1.0000000
140.9874787 33.1536851 10.3567257 3.7179530
.0025094 .0000000 .0000000 .0000000
.0189023 .0000000 .0000000 .0000000
.0818660 .0000000 .0000000 .0000000
.2250231 .0000000 .0000000 .0000000
1.4016765 .5191164
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1822805
1.0000000
1.4000000
1.0000000
F:qz2p
quadruple zeta basis plus double polarization (Ahlrichs)
8
0 0 0 1 1 1 2 2
1 3 2 1 2 1 1 1
6 3 2 4 2 1 1 1
48666.4375240 7293.7458716 1659.8356438 469.6475330 152.4514378
53.9733279
.0001949 .0000000 .0000000 .0000000 .0000000 .0000000
.0015118 .0000000 .0000000 .0000000 .0000000 .0000000
.0078828 .0000000 .0000000 .0000000 .0000000 .0000000
.0323527 .0000000 .0000000 .0000000 .0000000 .0000000
.1086657 .0000000 .0000000 .0000000 .0000000 .0000000
.2894814 .0000000 .0000000 .0000000 .0000000 .0000000
20.0175861 7.5598266 1.9766590
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.8000374 .2873812
1.0000000 .0000000
.0000000 1.0000000
140.9874787 33.1536851 10.3567257 3.7179530
.0025094 .0000000 .0000000 .0000000
.0189023 .0000000 .0000000 .0000000
.0818660 .0000000 .0000000 .0000000
.2250231 .0000000 .0000000 .0000000
1.4016765 .5191164
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1822805
1.0000000
0.81000000
1.0000000
2.420000
1.0000000
F:qz2p1f
quadruple zeta basis plus double polarization plus f-function (Ahlrichs)
9
0 0 0 1 1 1 2 2 3
1 3 2 1 2 1 1 1 1
6 3 2 4 2 1 1 1 1
48666.4375240 7293.7458716 1659.8356438 469.6475330 152.4514378
53.9733279
.0001949 .0000000 .0000000 .0000000 .0000000 .0000000
.0015118 .0000000 .0000000 .0000000 .0000000 .0000000
.0078828 .0000000 .0000000 .0000000 .0000000 .0000000
.0323527 .0000000 .0000000 .0000000 .0000000 .0000000
.1086657 .0000000 .0000000 .0000000 .0000000 .0000000
.2894814 .0000000 .0000000 .0000000 .0000000 .0000000
20.0175861 7.5598266 1.9766590
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.8000374 .2873812
1.0000000 .0000000
.0000000 1.0000000
140.9874787 33.1536851 10.3567257 3.7179530
.0025094 .0000000 .0000000 .0000000
.0189023 .0000000 .0000000 .0000000
.0818660 .0000000 .0000000 .0000000
.2250231 .0000000 .0000000 .0000000
1.4016765 .5191164
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1822805
1.0000000
0.81000000
1.0000000
2.420000
1.0000000
1.917
1.0000000
H:dz
double zeta (4s primitive set) (Ahlrichs basis)
1
0
2
4
13.0107010 1.9622572 .4445380 .1219496
.0196822 .0000000
.1379652 .0000000
.4783193 .0000000
.0000000 1.0000000
H:dzp
double zeta (4s primitive set) plus polarization (Ahlrichs basis)
2
0 1
2 1
4 1
13.0107010 1.9622572 .4445380 .1219496
.0196822 .0000000
.1379652 .0000000
.4783193 .0000000
.0000000 1.0000000
.8000000
1.0000000
H:tzplarge
triple zeta (6s primitive set) plus polarization (Ahlrichs basis)
3
0 0 1
1 2 1
4 2 1
82.9215680 12.4523920 2.8330483 .8000088
.0019976 .0000000 .0000000
.0152814 .0000000 .0000000
.0753053 .0000000 .0000000
.2563241 .0000000 .0000000
.2585944 .0899689
.4976256 .0000000
.0000000 .2967690
.8000000
1.0000000
H:tz2plarge
triple zeta (6s primitive set) plus double polarization (Ahlrichs basis)
4
0 0 1 1
1 2 1 1
4 2 1 1
82.9215680 12.4523920 2.8330483 .8000088
.0019976 .0000000 .0000000
.0152814 .0000000 .0000000
.0753053 .0000000 .0000000
.2563241 .0000000 .0000000
.2585944 .0899689
.4976256 .0000000
.0000000 .2967690
.4600000
1.0000000
1.39000000
1.0000000
H:tzp
triple zeta plus polariation (Ahlrichs)
3
0 0 1
1 2 1
3 2 1
34.0613410 5.1235746 1.1646626
.0060252 .0000000 .0000000
.0450211 .0000000 .0000000
.2018973 .0000000 .0000000
.3272304 .1030724
1.0000000 .0000000
.0000000 1.0000000
.80000000
1.0000000
H:TZP2
5s Huzinaga in Dunning contraction, corr.cons. d-Exp. C. Heinemann
3
0 0 1
1 2 1
3 2 1
33.6400000 5.0580000 1.1470000
.0253740 .0000000 .0000000
.1896840 .0000000 .0000000
.8529330 .0000000 .0000000
.3211000 .1013000
1.0000000 .0000000
.0000000 1.0000000
.72700000
1.0000000
H:tz2p
triple zeta plus double polariation (Ahlrichs)
4
0 0 1 1
1 2 1 1
3 2 1 1
34.0613410 5.1235746 1.1646626
.0060252 .0000000 .0000000
.0450211 .0000000 .0000000
.2018973 .0000000 .0000000
.3272304 .1030724
1.0000000 .0000000
.0000000 1.0000000
.4600000
1.0000000
1.39000000
1.0000000
H:qzp
quadruple zeta (7s primitive set) plus polarization (Ahlrichs basis)
4
0 0 0 1
1 2 1 1
4 2 1 1
190.69169 28.605532 6.5095943 1.8412455
.0007082
.0054679
.0279666
.10764538
.59853725 .21397624
.2988971 .0000000
.0000000 .4740680
.080316286
1.000000
.8000000
1.0000000
H:qz2p
quadruple zeta (7s primitive set) plus double polarization (Ahlrichs basis)
5
0 0 0 1 1
1 2 1 1 1
4 2 1 1 1
190.69169 28.605532 6.5095943 1.8412455
.0007082
.0054679
.0279666
.10764538
.59853725 .21397624
.2988971 .0000000
.0000000 .4740680
.080316286
1.000000
.4600000
1.0000000
1.39000000
1.0000000
C:qzp
quadruple zeta plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 3 2 1 2 1 1
6 3 2 4 2 1 1
19841.3209220 2973.8160397 676.7627346 191.5065286 62.1831346
22.0160682
.0002047 .0000000 .0000000 .0000000 .0000000 .0000000
.0015876 .0000000 .0000000 .0000000 .0000000 .0000000
.0082676 .0000000 .0000000 .0000000 .0000000 .0000000
.0337758 .0000000 .0000000 .0000000 .0000000 .0000000
.1118539 .0000000 .0000000 .0000000 .0000000 .0000000
.2892470 .0000000 .0000000 .0000000 .0000000 .0000000
8.1594761 3.0814906 .7549394
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.3154547 .1184049
1.0000000 .0000000
.0000000 1.0000000
61.6429464 14.4467636 4.4418117 1.5716359
.0020797 .0000000 .0000000 .0000000
.0152082 .0000000 .0000000 .0000000
.0652104 .0000000 .0000000 .0000000
.1944082 .0000000 .0000000 .0000000
.5978321 .2301392
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0866295
1.0000000
.8000000
1.0000000
C:qz2p
quadruple zeta plus double polarization (Ahlrichs)
8
0 0 0 1 1 1 2 2
1 3 2 1 2 1 1 1
6 3 2 4 2 1 1 1
19841.3209220 2973.8160397 676.7627346 191.5065286 62.1831346
22.0160682
.0002047 .0000000 .0000000 .0000000 .0000000 .0000000
.0015876 .0000000 .0000000 .0000000 .0000000 .0000000
.0082676 .0000000 .0000000 .0000000 .0000000 .0000000
.0337758 .0000000 .0000000 .0000000 .0000000 .0000000
.1118539 .0000000 .0000000 .0000000 .0000000 .0000000
.2892470 .0000000 .0000000 .0000000 .0000000 .0000000
8.1594761 3.0814906 .7549394
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.3154547 .1184049
1.0000000 .0000000
.0000000 1.0000000
61.6429464 14.4467636 4.4418117 1.5716359
.0020797 .0000000 .0000000 .0000000
.0152082 .0000000 .0000000 .0000000
.0652104 .0000000 .0000000 .0000000
.1944082 .0000000 .0000000 .0000000
.5978321 .2301392
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0866295
1.0000000
.4600000
1.0000000
1.390000
1.0000000
C:qz2p1f
quadruple zeta plus double polarization plus f-function (Ahlrichs)
9
0 0 0 1 1 1 2 2 3
1 3 2 1 2 1 1 1 1
6 3 2 4 2 1 1 1 1
19841.3209220 2973.8160397 676.7627346 191.5065286 62.1831346
22.0160682
.0002047 .0000000 .0000000 .0000000 .0000000 .0000000
.0015876 .0000000 .0000000 .0000000 .0000000 .0000000
.0082676 .0000000 .0000000 .0000000 .0000000 .0000000
.0337758 .0000000 .0000000 .0000000 .0000000 .0000000
.1118539 .0000000 .0000000 .0000000 .0000000 .0000000
.2892470 .0000000 .0000000 .0000000 .0000000 .0000000
8.1594761 3.0814906 .7549394
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.3154547 .1184049
1.0000000 .0000000
.0000000 1.0000000
61.6429464 14.4467636 4.4418117 1.5716359
.0020797 .0000000 .0000000 .0000000
.0152082 .0000000 .0000000 .0000000
.0652104 .0000000 .0000000 .0000000
.1944082 .0000000 .0000000 .0000000
.5978321 .2301392
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0866295
1.0000000
.4600000
1.0000000
1.390000
1.0000000
0.761
1.0000000
O:qzp
quadruple zeta basis plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 3 2 1 2 1 1
6 3 2 4 2 1 1
37657.2639730 5643.8432204 1284.3737405 363.4205887 117.9803749
41.7723582
.0001994 .0000000 .0000000 .0000000 .0000000 .0000000
.0015468 .0000000 .0000000 .0000000 .0000000 .0000000
.0080625 .0000000 .0000000 .0000000 .0000000 .0000000
.0330540 .0000000 .0000000 .0000000 .0000000 .0000000
.1106446 .0000000 .0000000 .0000000 .0000000 .0000000
.2926286 .0000000 .0000000 .0000000 .0000000 .0000000
15.4910030 5.8508423 1.5086021
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.6150142 .2232660
1.0000000 .0000000
.0000000 1.0000000
111.5260688 26.2045975 8.1549874 2.9191674
.0023838 .0000000 .0000000 .0000000
.0178364 .0000000 .0000000 .0000000
.0772155 .0000000 .0000000 .0000000
.2170471 .0000000 .0000000 .0000000
1.1041777 .4135157
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1481284
1.0000000
1.20
1.0000000
O:qz2p
quadruple zeta basis plus double polarization (Ahlrichs)
8
0 0 0 1 1 1 2 2
1 3 2 1 2 1 1 1
6 3 2 4 2 1 1 1
37657.2639730 5643.8432204 1284.3737405 363.4205887 117.9803749
41.7723582
.0001994 .0000000 .0000000 .0000000 .0000000 .0000000
.0015468 .0000000 .0000000 .0000000 .0000000 .0000000
.0080625 .0000000 .0000000 .0000000 .0000000 .0000000
.0330540 .0000000 .0000000 .0000000 .0000000 .0000000
.1106446 .0000000 .0000000 .0000000 .0000000 .0000000
.2926286 .0000000 .0000000 .0000000 .0000000 .0000000
15.4910030 5.8508423 1.5086021
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.6150142 .2232660
1.0000000 .0000000
.0000000 1.0000000
111.5260688 26.2045975 8.1549874 2.9191674
.0023838 .0000000 .0000000 .0000000
.0178364 .0000000 .0000000 .0000000
.0772155 .0000000 .0000000 .0000000
.2170471 .0000000 .0000000 .0000000
1.1041777 .4135157
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1481284
1.0000000
0.69
1.0000000
2.08
1.0000000
O:qz2p1f
quadruple zeta basis plus double polarization plus f-function (Ahlrichs)
9
0 0 0 1 1 1 2 2 3
1 3 2 1 2 1 1 1 1
6 3 2 4 2 1 1 1 1
37657.2639730 5643.8432204 1284.3737405 363.4205887 117.9803749
41.7723582
.0001994 .0000000 .0000000 .0000000 .0000000 .0000000
.0015468 .0000000 .0000000 .0000000 .0000000 .0000000
.0080625 .0000000 .0000000 .0000000 .0000000 .0000000
.0330540 .0000000 .0000000 .0000000 .0000000 .0000000
.1106446 .0000000 .0000000 .0000000 .0000000 .0000000
.2926286 .0000000 .0000000 .0000000 .0000000 .0000000
15.4910030 5.8508423 1.5086021
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.6150142 .2232660
1.0000000 .0000000
.0000000 1.0000000
111.5260688 26.2045975 8.1549874 2.9191674
.0023838 .0000000 .0000000 .0000000
.0178364 .0000000 .0000000 .0000000
.0772155 .0000000 .0000000 .0000000
.2170471 .0000000 .0000000 .0000000
1.1041777 .4135157
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1481284
1.0000000
0.69
1.0000000
2.08
1.0000000
1.428
1.0000000
N:qzp
quadruple zeta basis plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 3 2 1 2 1 1
6 3 2 4 2 1 1
28016.0879410 4198.9694872 955.5674608 270.3897528 87.7881067
31.0844836
-.0002032 .0000000 .0000000 .0000000 .0000000 .0000000
-.0015766 .0000000 .0000000 .0000000 .0000000 .0000000
-.0082144 .0000000 .0000000 .0000000 .0000000 .0000000
-.0336263 .0000000 .0000000 .0000000 .0000000 .0000000
-.1120384 .0000000 .0000000 .0000000 .0000000 .0000000
-.2934018 .0000000 .0000000 .0000000 .0000000 .0000000
11.5261308 4.3535264 1.0998464
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.4520922 .1664250
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
87.2096736 20.4806984 6.3467619 2.2622506
-.0021633 .0000000 .0000000 .0000000
-.0160828 .0000000 .0000000 .0000000
-.0695980 .0000000 .0000000 .0000000
-.2031843 .0000000 .0000000 .0000000
.8615698 .3297095
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1220987
1.0000000 .0000000 .0000000
1.00000
1.0000000 .0000000 .0000000
N:qz2p
quadruple zeta basis plus double polarization (Ahlrichs)
8
0 0 0 1 1 1 2 2
1 3 2 1 2 1 1 1
6 3 2 4 2 1 1 1
28016.0879410 4198.9694872 955.5674608 270.3897528 87.7881067
31.0844836
-.0002032 .0000000 .0000000 .0000000 .0000000 .0000000
-.0015766 .0000000 .0000000 .0000000 .0000000 .0000000
-.0082144 .0000000 .0000000 .0000000 .0000000 .0000000
-.0336263 .0000000 .0000000 .0000000 .0000000 .0000000
-.1120384 .0000000 .0000000 .0000000 .0000000 .0000000
-.2934018 .0000000 .0000000 .0000000 .0000000 .0000000
11.5261308 4.3535264 1.0998464
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.4520922 .1664250
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
87.2096736 20.4806984 6.3467619 2.2622506
-.0021633 .0000000 .0000000 .0000000
-.0160828 .0000000 .0000000 .0000000
-.0695980 .0000000 .0000000 .0000000
-.2031843 .0000000 .0000000 .0000000
.8615698 .3297095
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1220987
1.0000000 .0000000 .0000000
.5800000
1.0000000 .0000000 .0000000
1.730000
1.0000000 .0000000 .0000000
N:qz2p1f
quadruple zeta basis plus double polarization plus f-function (Ahlrichs)
9
0 0 0 1 1 1 2 2 3
1 3 2 1 2 1 1 1 1
6 3 2 4 2 1 1 1 1
28016.0879410 4198.9694872 955.5674608 270.3897528 87.7881067
31.0844836
-.0002032 .0000000 .0000000 .0000000 .0000000 .0000000
-.0015766 .0000000 .0000000 .0000000 .0000000 .0000000
-.0082144 .0000000 .0000000 .0000000 .0000000 .0000000
-.0336263 .0000000 .0000000 .0000000 .0000000 .0000000
-.1120384 .0000000 .0000000 .0000000 .0000000 .0000000
-.2934018 .0000000 .0000000 .0000000 .0000000 .0000000
11.5261308 4.3535264 1.0998464
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.4520922 .1664250
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
87.2096736 20.4806984 6.3467619 2.2622506
-.0021633 .0000000 .0000000 .0000000
-.0160828 .0000000 .0000000 .0000000
-.0695980 .0000000 .0000000 .0000000
-.2031843 .0000000 .0000000 .0000000
.8615698 .3297095
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1220987
1.0000000 .0000000 .0000000
.5800000
1.0000000 .0000000 .0000000
1.730000
1.0000000 .0000000 .0000000
1.093
1.0000000
F:svp
split valence (7s4p primitive set) plus polarization (Ahlrichs basis)
5
0 0 1 1 2
1 2 1 1 1
5 2 3 1 1
2894.8325990 435.4193912 98.8433289 27.4851980 8.5405498
-.0053408 .0000000 .0000000
-.0399043 .0000000 .0000000
-.1791277 .0000000 .0000000
-.4675809 .0000000 .0000000
-.4465313 .0000000 .0000000
1.0654578 .3324735
1.0000000 .0000000
.0000000 1.0000000
22.6966339 4.9872339 1.3491614
-.0452129 .0000000
-.2375432 .0000000
-.5128735 .0000000
.3482988
1.0000000
1.4000000
1.0000000
F:dzp
double zeta (8s4p primitive set) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 1 1 1 1
5 2 1 3 1 1
8709.5462000 1307.4134000 297.3644100 83.6021540 26.3851210
.0013936 .0000000 .0000000 .0000000
.0106951 .0000000 .0000000 .0000000
.0533893 .0000000 .0000000 .0000000
.1911248 .0000000 .0000000 .0000000
.4498754 .0000000 .0000000 .0000000
8.6499174 1.5043291
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.4340840
1.0000000
22.6659940 4.9760341 1.3476543
.0340289 .0000000
.1786532 .0000000
.3849732 .0000000
.3477517
1.0000000
1.4000000
1.0000000
F:tzp
triple zeta (9s5p primitive set) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 2 1 2 1
5 2 2 3 2 1
16378.8420000 2456.8546000 559.1418100 158.1646300 51.2920080
.0006747 .0000000 .0000000 .0000000 .0000000
.0052103 .0000000 .0000000 .0000000 .0000000
.0266445 .0000000 .0000000 .0000000 .0000000
.1023807 .0000000 .0000000 .0000000 .0000000
.2865705 .0000000 .0000000 .0000000 .0000000
18.1781040 6.7441248
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
1.3187418 .3912535
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
43.9110350 9.9304240 2.9313662
.0166481 .0000000 .0000000
.1044260 .0000000 .0000000
.3170288 .0000000 .0000000
.9143472 .2678416
1.0000000 .0000000
.0000000 1.0000000
1.4000000
1.0000000
F:tz2p
triple zeta (9s5p primitive set) plus double polarization (Ahlrichs basis)
7
0 0 0 1 1 2 2
1 2 2 1 2 1 1
5 2 2 3 2 1 1
16378.8420000 2456.8546000 559.1418100 158.1646300 51.2920080
.0006747 .0000000 .0000000 .0000000 .0000000
.0052103 .0000000 .0000000 .0000000 .0000000
.0266445 .0000000 .0000000 .0000000 .0000000
.1023807 .0000000 .0000000 .0000000 .0000000
.2865705 .0000000 .0000000 .0000000 .0000000
18.1781040 6.7441248
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
1.3187418 .3912535
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
43.9110350 9.9304240 2.9313662
.0166481 .0000000 .0000000
.1044260 .0000000 .0000000
.3170288 .0000000 .0000000
.9143472 .2678416
1.0000000 .0000000
.0000000 1.0000000
0.81000000
1.0000000
2.420000
1.0000000
F:tzplarge
triple zeta (10s6p primitive set) plus polarization (Ahlrichs basis)
7
0 0 0 0 1 1 2
1 2 2 1 1 2 1
5 2 2 1 4 2 1
20450.4890000 3066.9547000 697.9100300 197.2702000 63.7283430
.0005110 .0000000 .0000000 .0000000 .0000000 .0000000
.0039519 .0000000 .0000000 .0000000 .0000000 .0000000
.0203346 .0000000 .0000000 .0000000 .0000000 .0000000
.0798765 .0000000 .0000000 .0000000 .0000000 .0000000
.2377560 .0000000 .0000000 .0000000 .0000000 .0000000
22.3218090 8.1557609
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.2114295 .8903857
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.3069660
1.0000000 .0000000 .0000000 .0000000 .0000000
80.2180200 18.5872810 5.6844581 1.9512781
.0063744 .0000000 .0000000
.0443602 .0000000 .0000000
.1688004 .0000000 .0000000
.3616298 .0000000 .0000000
.6702411 .2168225
1.0000000 .0000000
.0000000 1.0000000
1.4000000
1.0000000
O:svp
split valence (7s4p primitive set) plus polarization (Ahlrichs basis)
5
0 0 1 1 2
1 2 1 1 1
5 2 3 1 1
2266.1767785 340.8701019 77.3631352 21.4796449 6.6589433
-.0053432 .0000000 .0000000
-.0398900 .0000000 .0000000
-.1785391 .0000000 .0000000
-.4642768 .0000000 .0000000
-.4430975 .0000000 .0000000
.8097598 .2553077
1.0000000 .0000000
.0000000 1.0000000
17.7215043 3.8635505 1.0480921
.0433946 .0000000
.2309412 .0000000
.5137531 .0000000
.2764154
1.0000000
1.200000
1.0000000
O:dzp
double zeta (8s4p primitive set) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 1 1 1 1
5 2 1 3 1 1
6773.3747000 1016.7970000 231.2673800 65.0084540 20.4998080
.0017266 .0000000 .0000000 .0000000
.0132465 .0000000 .0000000 .0000000
.0660262 .0000000 .0000000 .0000000
.2352836 .0000000 .0000000 .0000000
.5497624 .0000000 .0000000 .0000000
6.7160664 1.1471572
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3342325
1.0000000
17.6942640 3.8536027 1.0467465
.0435902 .0000000
.2317809 .0000000
.5145597 .0000000
.2758604
1.0000000
1.200000
1.0000000
O:tzp
triple zeta (9s5p primitive set) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 2 1 2 1
5 2 2 3 2 1
12893.5910000 1934.0944000 440.1727200 124.5025600 40.3489920
.0006893 .0000000 .0000000 .0000000 .0000000
.0053219 .0000000 .0000000 .0000000 .0000000
.0272050 .0000000 .0000000 .0000000 .0000000
.1044029 .0000000 .0000000 .0000000 .0000000
.2916734 .0000000 .0000000 .0000000 .0000000
14.2720490 5.2801975
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
1.0132723 .3028981
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
34.4965250 7.7566556 2.2820825
.0159181 .0000000 .0000000
.0997476 .0000000 .0000000
.3104920 .0000000 .0000000
.7169287 .2146206
1.0000000 .0000000
.0000000 1.0000000
1.200000
1.0000000
O:tz2p
triple zeta (9s5p primitive set) plus double polarization (Ahlrichs basis)
7
0 0 0 1 1 2 2
1 2 2 1 2 1 1
5 2 2 3 2 1 1
12893.5910000 1934.0944000 440.1727200 124.5025600 40.3489920
.0006893 .0000000 .0000000 .0000000 .0000000
.0053219 .0000000 .0000000 .0000000 .0000000
.0272050 .0000000 .0000000 .0000000 .0000000
.1044029 .0000000 .0000000 .0000000 .0000000
.2916734 .0000000 .0000000 .0000000 .0000000
14.2720490 5.2801975
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
1.0132723 .3028981
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
34.4965250 7.7566556 2.2820825
.0159181 .0000000 .0000000
.0997476 .0000000 .0000000
.3104920 .0000000 .0000000
.7169287 .2146206
1.0000000 .0000000
.0000000 1.0000000
0.69
1.0000000
2.08
1.0000000
O:tzplarge
triple zeta (10s6p primitive set) plus polarization (Ahlrichs basis)
7
0 0 0 0 1 1 2 1
1 2 2 1 1 2 1
5 2 2 1 4 2 1
15902.6474590 2384.9537829 542.7195718 153.4040787 49.5457161
.0005150 .0000000 .0000000 .0000000 .0000000 .0000000
.0039820 .0000000 .0000000 .0000000 .0000000 .0000000
.0204770 .0000000 .0000000 .0000000 .0000000 .0000000
.0802624 .0000000 .0000000 .0000000 .0000000 .0000000
.2376684 .0000000 .0000000 .0000000 .0000000 .0000000
17.3396499 6.3303355
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.6995882 .6895449
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.2393603
1.0000000 .0000000 .0000000 .0000000 .0000000
63.2705240 14.6233123 4.4489518 1.5281513
.0060709 .0000000 .0000000
.0419477 .0000000 .0000000
.1615688 .0000000 .0000000
.3568278 .0000000 .0000000
.5299732 .1750945
1.0000000 .0000000
.0000000 1.0000000
1.200000
1.0000000
N:svp
split valence (7s4p primitive set) plus polarization (Ahlrichs basis)
5
0 0 1 1 2
1 2 1 1 1
5 2 3 1 1
1712.8415853 257.6481268 58.4582459 16.1983679 5.0052601
-.0053934 .0000000 .0000000
-.0402216 .0000000 .0000000
-.1793114 .0000000 .0000000
-.4637632 .0000000 .0000000
-.4417142 .0000000 .0000000
.5873186 .1876459
1.0000000 .0000000
.0000000 1.0000000
13.5714702 2.9257373 .7992775
-.0400724 .0000000
-.2180705 .0000000
-.5129447 .0000000
.2195435
1.0000000
1.200000
1.0000000
N:dzp
double zeta (8s4p primitive set) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 1 1 1 1
5 2 1 3 1 1
5071.9892000 761.4179100 173.1841800 48.6703900 15.3314480
.0017067 .0000000 .0000000 .0000000
.0130877 .0000000 .0000000 .0000000
.0650983 .0000000 .0000000 .0000000
.2305160 .0000000 .0000000 .0000000
.5330047 .0000000 .0000000 .0000000
5.0186710 .8355477
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.2462681
1.0000000 .0000000 .0000000
13.5507220 2.9178682 .7983125
.0406308 .0000000
.2208580 .0000000
.5186014 .0000000
.2190013
1.0000000
1.000000
1.0000000
N:tzp
triple zeta (9s5p primitive set) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 2 1 2 1
5 2 2 3 2 1
9810.2727000 1471.5960000 334.9146600 94.7199660 30.6694460
.0006755 .0000000 .0000000 .0000000 .0000000
.0052154 .0000000 .0000000 .0000000 .0000000
.0266464 .0000000 .0000000 .0000000 .0000000
.1020819 .0000000 .0000000 .0000000 .0000000
.2843982 .0000000 .0000000 .0000000 .0000000
10.8195540 3.9873030
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.7448334 .2247018
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
26.6716420 5.9564688 1.7441906
.0146417 .0000000 .0000000
.0916834 .0000000 .0000000
.2984215 .0000000 .0000000
.5563397 .1731605
1.0000000 .0000000
.0000000 1.0000000
1.000000
1.0000000
N:tz2p
triple zeta (9s5p primitive set) plus double polarization (Ahlrichs basis)
7
0 0 0 1 1 2 2
1 2 2 1 2 1 1
5 2 2 3 2 1 1
9810.2727000 1471.5960000 334.9146600 94.7199660 30.6694460
.0006755 .0000000 .0000000 .0000000 .0000000
.0052154 .0000000 .0000000 .0000000 .0000000
.0266464 .0000000 .0000000 .0000000 .0000000
.1020819 .0000000 .0000000 .0000000 .0000000
.2843982 .0000000 .0000000 .0000000 .0000000
10.8195540 3.9873030
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.7448334 .2247018
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
26.6716420 5.9564688 1.7441906
.0146417 .0000000 .0000000
.0916834 .0000000 .0000000
.2984215 .0000000 .0000000
.5563397 .1731605
1.0000000 .0000000
.0000000 1.0000000
.5800000
1.0000000 .0000000 .0000000
1.730000
1.0000000 .0000000 .0000000
N:tzplarge
triple zeta (10s6p primitive set) plus polarization (Ahlrichs basis)
7
0 0 0 0 1 1 2
1 2 2 1 1 2 1
5 2 2 1 4 2 1
11913.4167560 1786.7213834 406.5901283 114.9252506 37.1058834
-.0005230 .0000000 .0000000 .0000000 .0000000 .0000000
-.0040428 .0000000 .0000000 .0000000 .0000000 .0000000
-.0207727 .0000000 .0000000 .0000000 .0000000 .0000000
-.0811831 .0000000 .0000000 .0000000 .0000000 .0000000
-.2387150 .0000000 .0000000 .0000000 .0000000 .0000000
12.9716762 4.7302291
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.2525184 .5126007
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1793971
1.0000000 .0000000 .0000000 .0000000 .0000000
49.2187584 11.3489353 3.4285088 1.1799513
.0055527 .0000000 .0000000
.0380546 .0000000 .0000000
.1494141 .0000000 .0000000
.3489819 .0000000 .0000000
.4172612 .1429513
1.0000000 .0000000
.0000000 1.0000000
1.000000
1.0000000
C:svp
split-valence plus polarization (Ahlrichs basis)
5
0 0 1 1 2
1 2 1 1 1
5 2 3 1 1
1238.4016938 186.2900499 42.2511763 11.6765579 3.5930506
.0054569 .0000000 .0000000
.0406384 .0000000 .0000000
.1802559 .0000000 .0000000
.4631512 .0000000 .0000000
.4408717 .0000000 .0000000
.4024515 .1309018
1.0000000 .0000000
.0000000 1.0000000
9.4680971 2.0103545 .5477100
.0383879 .0000000
.2111703 .0000000
.5132817 .0000000
.1526861
1.0000000
.800000
1.0000000
C:dzp
double zeta plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 1 1 1 1
5 2 1 3 1 1
3623.8613000 544.0462100 123.7433800 34.7632090 10.9333330
.0016339 .0000000 .0000000 .0000000
.0125217 .0000000 .0000000 .0000000
.0621139 .0000000 .0000000 .0000000
.2181773 .0000000 .0000000 .0000000
.4980043 .0000000 .0000000 .0000000
3.5744765 .5748325
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1730364
1.0000000
9.4432819 2.0017986 .5462972
.0378955 .0000000
.2081818 .0000000
.5047417 .0000000
.1520268
1.0000000
.8000000
1.0000000
C:tzp
triple zeta (9s5p primitive set) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 2 1 2 1
5 2 2 3 2 1
7156.1744000 1073.4735000 244.3065600 69.0834620 22.3409630
.0006699 .0000000 .0000000 .0000000 .0000000
.0051710 .0000000 .0000000 .0000000 .0000000
.0264024 .0000000 .0000000 .0000000 .0000000
.1009319 .0000000 .0000000 .0000000 .0000000
.2802866 .0000000 .0000000 .0000000 .0000000
7.8524164 2.8791374
1.0000000 .0000000 .0000000 .0000000
0.0000000 1.0000000 .0000000 .0000000
.5194815 .1593198
1.0000000 .0000000 .0000000 .0000000
0.0000000 1.0000000 .0000000 .0000000
18.7360050 4.1363791 1.2005194
.0140064 .0000000 .0000000
.0868683 .0000000 .0000000
.2899842 .0000000 .0000000
.3834848 .1212946
1.0000000 .0000000
.0000000 1.0000000
.8000000
1.0000000
C:tz2p
triple zeta (9s5p primitive set) plus double polarization (Ahlrichs basis)
7
0 0 0 1 1 2 2
1 2 2 1 2 1 1
5 2 2 3 2 1 1
7156.1744000 1073.4735000 244.3065600 69.0834620 22.3409630
.0006699 .0000000 .0000000 .0000000 .0000000
.0051710 .0000000 .0000000 .0000000 .0000000
.0264024 .0000000 .0000000 .0000000 .0000000
.1009319 .0000000 .0000000 .0000000 .0000000
.2802866 .0000000 .0000000 .0000000 .0000000
7.8524164 2.8791374
1.0000000 .0000000 .0000000 .0000000
0.0000000 1.0000000 .0000000 .0000000
.5194815 .1593198
1.0000000 .0000000 .0000000 .0000000
0.0000000 1.0000000 .0000000 .0000000
18.7360050 4.1363791 1.2005194
.0140064 .0000000 .0000000
.0868683 .0000000 .0000000
.2899842 .0000000 .0000000
.3834848 .1212946
1.0000000 .0000000
.0000000 1.0000000
.4600000
1.0000000
1.390000
1.0000000
C:tzplarge
triple zeta (10s6p primitive set) plus polarization (Ahlrichs basis)
7
0 0 0 0 1 1 2
1 2 2 1 1 2 1
5 2 2 1 4 2 1
8506.0384000 1275.7329000 290.3118700 82.0562000 26.4796410
.0005337 .0000000 .0000000 .0000000 .0000000 .0000000
.0041250 .0000000 .0000000 .0000000 .0000000 .0000000
.0211713 .0000000 .0000000 .0000000 .0000000 .0000000
.0824179 .0000000 .0000000 .0000000 .0000000 .0000000
.2401286 .0000000 .0000000 .0000000 .0000000 .0000000
9.2414585 3.3643530
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.8717416 .3635235
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1287313
1.0000000 .0000000 .0000000 .0000000 .0000000
34.7094960 7.9590883 2.3786972 .8154006
.0053301 .0000000 .0000000
.0358658 .0000000 .0000000
.1420030 .0000000 .0000000
.3420311 .0000000 .0000000
.2895378 .1008475
1.0000000 .0000000
.0000000 1.0000000
.8000000
1.0000000
SI:svp
split-valence plus polarization (AHlrichs)
6
0 0 0 1 1 2
1 1 2 1 2 1
5 3 2 5 2 1
6903.7118686 1038.4346419 235.8758148 66.0693852 20.2479458
.0013374 .0000000 .0000000 .0000000
.0099967 .0000000 .0000000 .0000000
.0449102 .0000000 .0000000 .0000000
.1146364 .0000000 .0000000 .0000000
.1028006 .0000000 .0000000 .0000000
34.3534817 3.6370788 1.4002049
.0708373 .0000000 .0000000
-.4302884 .0000000 .0000000
-.4138277 .0000000 .0000000
.2048441 .0779941
1.0000000 .0000000
.0000000 1.0000000
179.8390737 41.9072588 12.9552944 4.4383267 1.5462248
.0061917 .0000000 .0000000
.0433994 .0000000 .0000000
.1563202 .0000000 .0000000
.2942000 .0000000 .0000000
.2353682 .0000000 .0000000
.3560761 .1000851
1.0000000 .0000000
.0000000 1.0000000
.4000000
1.0000000
SI:dzp
double zeta plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 2 3 1 2 1 1
5 3 3 4 2 1 1
37778.3210000 5667.2439000 1290.0636000 365.6640500 119.9406500
.0006138 .0000000 .0000000 .0000000 .0000000 .0000000
.0047391 .0000000 .0000000 .0000000 .0000000 .0000000
.0242091 .0000000 .0000000 .0000000 .0000000 .0000000
.0924229 .0000000 .0000000 .0000000 .0000000 .0000000
.2515488 .0000000 .0000000 .0000000 .0000000 .0000000
43.8630830 17.0325370 3.8907716
.4530613 .0000000 .0000000 .0000000 .0000000
.2995575 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.4469558 .2553206 .0933278
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0000000 .0000000 1.0000000
178.3497700 41.5494270 12.8429440 4.3972841
.0102502 .0000000 .0000000 .0000000
.0717473 .0000000 .0000000 .0000000
.2574645 .0000000 .0000000 .0000000
.4821428 .0000000 .0000000 .0000000
1.5311894 .3444352
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0978095
1.0000000
.4000000
1.0000000
SI:tzp
triple zeta plus polarization (Ahlrichs)
8
0 0 0 0 1 1 1 2
1 2 2 2 1 2 2 1
5 3 2 2 5 2 2 1
79079.4340000 11855.0100000 2697.7051000 762.8722700 247.2845500
.0002643 .0000000 .0000000 .0000000 .0000000 .0000000
.0020485 .0000000 .0000000 .0000000 .0000000 .0000000
.0106372 .0000000 .0000000 .0000000 .0000000 .0000000
.0430825 .0000000 .0000000 .0000000 .0000000 .0000000
.1389828 .0000000 .0000000 .0000000 .0000000 .0000000
87.9312400 33.8232840 13.8681080
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4407154 .0000000 .0000000 .0000000
.0000000 .2009116 .0000000 .0000000 .0000000
3.9920017 1.4659925
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.2527109 .0924917
1.0000000
.0000000 1.0000000
483.0235200 114.2508100 36.3877860 13.4117040 5.2884033
.0019162 .0000000 .0000000 .0000000 .0000000
.0153098 .0000000 .0000000 .0000000 .0000000
.0710944 .0000000 .0000000 .0000000 .0000000
.2124324 .0000000 .0000000 .0000000 .0000000
.3897630 .0000000 .0000000 .0000000 .0000000
2.1374219 .8646846
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2548986 .0793970
1.0000000 .0000000
.0000000 1.0000000
.4000000
1.0000000
SI:tz2p
triple zeta plus double polarization (Ahlrichs)
9
0 0 0 0 1 1 1 2 2
1 2 2 2 1 2 2 1 1
5 3 2 2 5 2 2 1 1
79079.4340000 11855.0100000 2697.7051000 762.8722700 247.2845500
.0002643 .0000000 .0000000 .0000000 .0000000 .0000000
.0020485 .0000000 .0000000 .0000000 .0000000 .0000000
.0106372 .0000000 .0000000 .0000000 .0000000 .0000000
.0430825 .0000000 .0000000 .0000000 .0000000 .0000000
.1389828 .0000000 .0000000 .0000000 .0000000 .0000000
87.9312400 33.8232840 13.8681080
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4407154 .0000000 .0000000 .0000000
.0000000 .2009116 .0000000 .0000000 .0000000
3.9920017 1.4659925
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.2527109 .0924917
1.0000000
.0000000 1.0000000
483.0235200 114.2508100 36.3877860 13.4117040 5.2884033
.0019162 .0000000 .0000000 .0000000 .0000000
.0153098 .0000000 .0000000 .0000000 .0000000
.0710944 .0000000 .0000000 .0000000 .0000000
.2124324 .0000000 .0000000 .0000000 .0000000
.3897630 .0000000 .0000000 .0000000 .0000000
2.1374219 .8646846
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2548986 .0793970
1.0000000 .0000000
.0000000 1.0000000
.230000
1.0000000
.690000
1.0000000
SI:tzplarge
triple zeta basis plus polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 1 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 5 2 2 1 1
192992.1830500 28916.4440720 6580.3497001 1862.0084303 604.5761403
214.6123034
-.0001551 .0000000 .0000000 .0000000 .0000000 .0000000
-.0012043 .0000000 .0000000 .0000000 .0000000 .0000000
-.0063036 .0000000 .0000000 .0000000 .0000000 .0000000
-.0262221 .0000000 .0000000 .0000000 .0000000 .0000000
-.0916377 .0000000 .0000000 .0000000 .0000000 .0000000
-.2683255 .0000000 .0000000 .0000000 .0000000 .0000000
80.6285118 31.9121207
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
13.2312183 4.0288680
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
1.4738464 .2516929
1.0000000
.0000000 1.0000000 .0000000 .0000000 .0000000 .0000000
.0923132
1.0000000 .0000000 .0000000 .0000000 .0000000 .0000000
687.4445519 162.8608198 52.2344443 19.4368809 7.8437482
.0011004 .0000000 .0000000 .0000000 .0000000 .0000000
.0090764 .0000000 .0000000 .0000000 .0000000 .0000000
.0444483 .0000000 .0000000 .0000000 .0000000 .0000000
.1478690 .0000000 .0000000 .0000000 .0000000 .0000000
.3220419 .0000000 .0000000 .0000000 .0000000 .0000000
3.2535699 1.3503974
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.4632678 .1747375
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0627565
1.0000000
.4000000
1.0000000
SI:tz2plarge
triple zeta basis plus double polarization (Ahlrichs)
11
0 0 0 0 0 1 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1 1
6 2 2 2 1 5 2 2 1 1 1
192992.1830500 28916.4440720 6580.3497001 1862.0084303 604.5761403
214.6123034
-.0001551 .0000000 .0000000 .0000000 .0000000 .0000000
-.0012043 .0000000 .0000000 .0000000 .0000000 .0000000
-.0063036 .0000000 .0000000 .0000000 .0000000 .0000000
-.0262221 .0000000 .0000000 .0000000 .0000000 .0000000
-.0916377 .0000000 .0000000 .0000000 .0000000 .0000000
-.2683255 .0000000 .0000000 .0000000 .0000000 .0000000
80.6285118 31.9121207
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
13.2312183 4.0288680
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
1.4738464 .2516929
1.0000000
.0000000 1.0000000 .0000000 .0000000 .0000000 .0000000
.0923132
1.0000000 .0000000 .0000000 .0000000 .0000000 .0000000
687.4445519 162.8608198 52.2344443 19.4368809 7.8437482
.0011004 .0000000 .0000000 .0000000 .0000000 .0000000
.0090764 .0000000 .0000000 .0000000 .0000000 .0000000
.0444483 .0000000 .0000000 .0000000 .0000000 .0000000
.1478690 .0000000 .0000000 .0000000 .0000000 .0000000
.3220419 .0000000 .0000000 .0000000 .0000000 .0000000
3.2535699 1.3503974
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.4632678 .1747375
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0627565
1.0000000
.2300000
1.0000000
.6900000
1.0000000
AL:svp
split-valence basis plus polarization (Ahlrichs)
6
0 0 0 1 1 2
1 1 2 1 2 1
5 3 2 5 2 1
5887.5727030 885.6122600 201.1360490 56.2849747 17.2295512
.0013483 .0000000 .0000000 .0000000
.0100716 .0000000 .0000000 .0000000
.0451325 .0000000 .0000000 .0000000
.1146127 .0000000 .0000000 .0000000
.1015961 .0000000 .0000000 .0000000
29.3402499 3.0439630 1.1285540
.0693475 .0000000 .0000000
-.4252812 .0000000 .0000000
-.4144983 .0000000 .0000000
.1423418 .0544002
1.0000000 .0000000
.0000000 1.0000000
145.1191881 33.7178948 10.3698631 3.5135616 1.1980050
.0063963 .0000000 .0000000
.0441894 .0000000 .0000000
.1558158 .0000000 .0000000
.2863529 .0000000 .0000000
.2292142 .0000000 .0000000
.2658301 .0710034
1.0000000 .0000000
.0000000 1.0000000
.3000000
1.0000000
AL:dzp
double zeta basis plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 2 3 1 2 1 1
5 3 3 4 2 1 1
32386.3810000 4858.4056000 1105.9177000 313.3923900 102.6549500
.0006266 .0000000 .0000000 .0000000 .0000000 .0000000
.0048376 .0000000 .0000000 .0000000 .0000000 .0000000
.0247057 .0000000 .0000000 .0000000 .0000000 .0000000
.0942671 .0000000 .0000000 .0000000 .0000000 .0000000
.2565490 .0000000 .0000000 .0000000 .0000000 .0000000
37.4098730 14.4578780 3.2405266
.4546558 .0000000 .0000000 .0000000 .0000000
.2958714 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.1620812 .1769117 .0654140
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0000000 .0000000 1.0000000
145.6757800 33.8475080 10.4135470 3.5311030
.0105725 .0000000 .0000000 .0000000
.0730995 .0000000 .0000000 .0000000
.2579905 .0000000 .0000000 .0000000
.4753818 .0000000 .0000000 .0000000
1.2051750 .2718885
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0714647
1.0000000
.3000000
1.0000000
AL:tzp
triple zeta plus polarization (Ahlrichs)
8
0 0 0 0 1 1 1 2
1 2 2 2 1 2 2 1
5 3 2 2 5 2 2 1
68090.4116770 10207.5408220 2322.8045854 656.8865384 212.9669410
.0002841 .0000000 .0000000 .0000000 .0000000 .0000000
.0022021 .0000000 .0000000 .0000000 .0000000 .0000000
.0114334 .0000000 .0000000 .0000000 .0000000 .0000000
.0462846 .0000000 .0000000 .0000000 .0000000 .0000000
.1491057 .0000000 .0000000 .0000000 .0000000 .0000000
75.7247166 29.0763200 11.8596239
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4166352 .0000000 .0000000 .0000000
.0000000 .1897837 .0000000 .0000000 .0000000
3.3162153 1.1754789
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1752053 .0647587
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
442.7918259 104.7598884 33.3759794 12.3053880 4.8642476
.0016391 .0000000 .0000000 .0000000 .0000000
.0131435 .0000000 .0000000 .0000000 .0000000
.0614977 .0000000 .0000000 .0000000 .0000000
.1882591 .0000000 .0000000 .0000000 .0000000
.3606261 .0000000 .0000000 .0000000 .0000000
1.9604027 .7843673
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.1901417 .0558744
1.0000000 .0000000
.0000000 1.0000000
.3000000
1.0000000
AL:tz2p
triple zeta plus double polarization (Ahlrichs)
9
0 0 0 0 1 1 1 2 2
1 2 2 2 1 2 2 1 1
5 3 2 2 5 2 2 1 1
68090.4116770 10207.5408220 2322.8045854 656.8865384 212.9669410
.0002841 .0000000 .0000000 .0000000 .0000000 .0000000
.0022021 .0000000 .0000000 .0000000 .0000000 .0000000
.0114334 .0000000 .0000000 .0000000 .0000000 .0000000
.0462846 .0000000 .0000000 .0000000 .0000000 .0000000
.1491057 .0000000 .0000000 .0000000 .0000000 .0000000
75.7247166 29.0763200 11.8596239
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4166352 .0000000 .0000000 .0000000
.0000000 .1897837 .0000000 .0000000 .0000000
3.3162153 1.1754789
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1752053 .0647587
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
442.7918259 104.7598884 33.3759794 12.3053880 4.8642476
.0016391 .0000000 .0000000 .0000000 .0000000
.0131435 .0000000 .0000000 .0000000 .0000000
.0614977 .0000000 .0000000 .0000000 .0000000
.1882591 .0000000 .0000000 .0000000 .0000000
.3606261 .0000000 .0000000 .0000000 .0000000
1.9604027 .7843673
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.1901417 .0558744
1.0000000 .0000000
.0000000 1.0000000
.17000000
1.0000000
.52000000
1.0000000
AL:tzplarge
triple zeta basis plus polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 1 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 5 2 2 1 1
151157.3767500 22649.2958270 5154.1635407 1458.3651681 473.3857114
167.8382105
.0001623 .0000000 .0000000 .0000000 .0000000 .0000000
.0012599 .0000000 .0000000 .0000000 .0000000 .0000000
.0065913 .0000000 .0000000 .0000000 .0000000 .0000000
.0273662 .0000000 .0000000 .0000000 .0000000 .0000000
.0951165 .0000000 .0000000 .0000000 .0000000 .0000000
.2748168 .0000000 .0000000 .0000000 .0000000 .0000000
62.8201453 24.6544746
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
10.0477497 3.2268620
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
1.1549940 .1755270
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0646189
1.0000000 .0000000 .0000000
597.3566544 141.5137908 45.3648229 16.8605274 6.8014231
.0010121 .0000000 .0000000 .0000000 .0000000 .0000000
.0083376 .0000000 .0000000 .0000000 .0000000 .0000000
.0407497 .0000000 .0000000 .0000000 .0000000 .0000000
.1359133 .0000000 .0000000 .0000000 .0000000 .0000000
.2987859 .0000000 .0000000 .0000000 .0000000 .0000000
2.8182211 1.1700176
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.4480646 .1464693
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0476908
1.0000000
.3000000
1.0000000
AL:tz2plarge
triple zeta basis plus double polarization (Ahlrichs)
11
0 0 0 0 0 1 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1 1
6 2 2 2 1 5 2 2 1 1 1
151157.3767500 22649.2958270 5154.1635407 1458.3651681 473.3857114
167.8382105
.0001623 .0000000 .0000000 .0000000 .0000000 .0000000
.0012599 .0000000 .0000000 .0000000 .0000000 .0000000
.0065913 .0000000 .0000000 .0000000 .0000000 .0000000
.0273662 .0000000 .0000000 .0000000 .0000000 .0000000
.0951165 .0000000 .0000000 .0000000 .0000000 .0000000
.2748168 .0000000 .0000000 .0000000 .0000000 .0000000
62.8201453 24.6544746
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
10.0477497 3.2268620
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
1.1549940 .1755270
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0646189
1.0000000 .0000000 .0000000
597.3566544 141.5137908 45.3648229 16.8605274 6.8014231
.0010121 .0000000 .0000000 .0000000 .0000000 .0000000
.0083376 .0000000 .0000000 .0000000 .0000000 .0000000
.0407497 .0000000 .0000000 .0000000 .0000000 .0000000
.1359133 .0000000 .0000000 .0000000 .0000000 .0000000
.2987859 .0000000 .0000000 .0000000 .0000000 .0000000
2.8182211 1.1700176
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.4480646 .1464693
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0476908
1.0000000
.1700000
1.0000000
.520000
1.0000000
P:svp
split valence basis plus polarization (Ahlrichs)
6
0 0 0 1 1 2
1 1 2 1 2 1
5 3 2 5 2 1
8002.4795106 1203.6813590 273.4422703 76.6555415 23.5169274
.0057503 .0000000 .0000000 .0000000
.0430076 .0000000 .0000000 .0000000
.1936399 .0000000 .0000000 .0000000
.4965169 .0000000 .0000000 .0000000
.4498326 .0000000 .0000000 .0000000
39.7916834 4.2770343 1.6940257
.0951881 .0000000 .0000000
-.5764984 .0000000 .0000000
-.5423958 .0000000 .0000000
.2756767 .1049559
1.0000000 .0000000
.0000000 1.0000000
219.5075582 51.2741550 15.9215959 5.5069913 1.9537719
.0092101 .0000000 .0000000
.0654098 .0000000 .0000000
.2403373 .0000000 .0000000
.4631832 .0000000 .0000000
.3739256 .0000000 .0000000
.4780340 .1365795
1.0000000 .0000000
.0000000 1.0000000
.4500000
1.0000000
P:dzp
double zeta basis plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 2 3 1 2 1 1
5 3 3 4 2 1 1
43629.1463840 6544.9101761 1489.8784631 422.3830019 138.6974797
.0006029 .0000000 .0000000 .0000000 .0000000 .0000000
.0046551 .0000000 .0000000 .0000000 .0000000 .0000000
.0237867 .0000000 .0000000 .0000000 .0000000 .0000000
.0908666 .0000000 .0000000 .0000000 .0000000 .0000000
.2474379 .0000000 .0000000 .0000000 .0000000 .0000000
50.8653867 19.8269368 4.5933029
.4585475 .0000000 .0000000 .0000000 .0000000
.3075056 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.7570188 .3435880 .1245145
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0000000 .0000000 1.0000000
215.9706795 50.4289869 15.6536040 5.4085977
.0099704 .0000000 .0000000 .0000000
.0706143 .0000000 .0000000 .0000000
.2577344 .0000000 .0000000 .0000000
.4915307 .0000000 .0000000 .0000000
1.9189364 .4542082
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1319094
1.0000000
.4500000
1.0000000
P:tzp
triple zeta basis plus polarization (Ahlrichs)
8
0 0 0 0 1 1 1 2
1 2 2 2 1 2 2 1
5 3 2 2 5 2 2 1
91049.0495250 13649.2488640 3105.9432074 878.2598263 284.6339291
.0002538 .0000000 .0000000 .0000000 .0000000 .0000000
.0019671 .0000000 .0000000 .0000000 .0000000 .0000000
.0102161 .0000000 .0000000 .0000000 .0000000 .0000000
.0413992 .0000000 .0000000 .0000000 .0000000 .0000000
.1337541 .0000000 .0000000 .0000000 .0000000 .0000000
101.2061001 38.9778414 16.0484941
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4541611 .0000000 .0000000 .0000000
.0000000 .2074220 .0000000 .0000000 .0000000
4.7225339 1.7825222
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3396297 .1233386
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
528.4438933 124.9714995 39.7957092 14.6575450 5.7578893
-.0022815 .0000000 .0000000 .0000000 .0000000
-.0181836 .0000000 .0000000 .0000000 .0000000
-.0839407 .0000000 .0000000 .0000000 .0000000
-.2460471 .0000000 .0000000 .0000000 .0000000
-.4365567 .0000000 .0000000 .0000000 .0000000
2.3123201 .8899378
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3046715 .1007815
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.4500000
1.0000000
P:tz2p
triple zeta basis plus double polarization (Ahlrichs)
9
0 0 0 0 1 1 1 2 2
1 2 2 2 1 2 2 1 1
5 3 2 2 5 2 2 1 1
91049.0495250 13649.2488640 3105.9432074 878.2598263 284.6339291
.0002538 .0000000 .0000000 .0000000 .0000000 .0000000
.0019671 .0000000 .0000000 .0000000 .0000000 .0000000
.0102161 .0000000 .0000000 .0000000 .0000000 .0000000
.0413992 .0000000 .0000000 .0000000 .0000000 .0000000
.1337541 .0000000 .0000000 .0000000 .0000000 .0000000
101.2061001 38.9778414 16.0484941
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4541611 .0000000 .0000000 .0000000
.0000000 .2074220 .0000000 .0000000 .0000000
4.7225339 1.7825222
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3396297 .1233386
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
528.4438933 124.9714995 39.7957092 14.6575450 5.7578893
-.0022815 .0000000 .0000000 .0000000 .0000000
-.0181836 .0000000 .0000000 .0000000 .0000000
-.0839407 .0000000 .0000000 .0000000 .0000000
-.2460471 .0000000 .0000000 .0000000 .0000000
-.4365567 .0000000 .0000000 .0000000 .0000000
2.3123201 .8899378
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3046715 .1007815
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2600
1.0000000
.7800
1.0000000
P:tzplarge
triple zeta basis plus polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 1 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 5 2 2 1 1
233709.5213800 35016.3301240 7968.4601781 2254.8372521 732.1828937
260.0091002
-.0001521 .0000000 .0000000 .0000000 .0000000 .0000000
-.0011817 .0000000 .0000000 .0000000 .0000000 .0000000
-.0061874 .0000000 .0000000 .0000000 .0000000 .0000000
-.0257654 .0000000 .0000000 .0000000 .0000000 .0000000
-.0903181 .0000000 .0000000 .0000000 .0000000 .0000000
-.2665129 .0000000 .0000000 .0000000 .0000000 .0000000
97.8021287 38.7902467
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
16.1037776 4.8529982
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.8133568 .3369820
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1230226
1.0000000 .0000000 .0000000 .0000000 .0000000
836.1788198 198.1320210 63.6448535 23.7438412 9.6243304
.0010393 .0000000 .0000000 .0000000 .0000000 .0000000
.0086250 .0000000 .0000000 .0000000 .0000000 .0000000
.0426783 .0000000 .0000000 .0000000 .0000000 .0000000
.1440071 .0000000 .0000000 .0000000 .0000000 .0000000
.3197962 .0000000 .0000000 .0000000 .0000000 .0000000
4.0238627 1.6912715
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.5874449 .2269874
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0833350
1.0000000
.4500000
1.0000000
P:tz2plarge
triple zeta basis plus double polarization (Ahlrichs)
11
0 0 0 0 0 1 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1 1
6 2 2 2 1 5 2 2 1 1 1
233709.5213800 35016.3301240 7968.4601781 2254.8372521 732.1828937
260.0091002
-.0001521 .0000000 .0000000 .0000000 .0000000 .0000000
-.0011817 .0000000 .0000000 .0000000 .0000000 .0000000
-.0061874 .0000000 .0000000 .0000000 .0000000 .0000000
-.0257654 .0000000 .0000000 .0000000 .0000000 .0000000
-.0903181 .0000000 .0000000 .0000000 .0000000 .0000000
-.2665129 .0000000 .0000000 .0000000 .0000000 .0000000
97.8021287 38.7902467
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
16.1037776 4.8529982
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.8133568 .3369820
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1230226
1.0000000 .0000000 .0000000 .0000000 .0000000
836.1788198 198.1320210 63.6448535 23.7438412 9.6243304
.0010393 .0000000 .0000000 .0000000 .0000000 .0000000
.0086250 .0000000 .0000000 .0000000 .0000000 .0000000
.0426783 .0000000 .0000000 .0000000 .0000000 .0000000
.1440071 .0000000 .0000000 .0000000 .0000000 .0000000
.3197962 .0000000 .0000000 .0000000 .0000000 .0000000
4.0238627 1.6912715
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.5874449 .2269874
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0833350
1.0000000
.26
1.0000000
.78
1.0000000
NE:svp
split valence basis plus polarization (Ahlrichs)
5
0 0 1 1 2
1 2 1 1 1
5 2 3 1 1
3598.9736625 541.3207311 122.9045006 34.2166170 10.6505841
-.0053259 .0000000 .0000000
-.0398174 .0000000 .0000000
-.1791436 .0000000 .0000000
-.4689358 .0000000 .0000000
-.4478254 .0000000 .0000000
1.3545954 .4191936
1.0000000 .0000000
.0000000 1.0000000
28.4240538 6.2822511 1.6978715
-.0460319 .0000000
-.2399318 .0000000
-.5087172 .0000000
.4330070
1.0000000
1.8888
1.0000000
NE:dzp
double zeta basis plus polarization (Ahlrichs)
6
0 0 0 1 1 2
1 2 1 1 1 1
5 2 1 3 1 1
10880.9393060 1633.3374648 371.4906218 104.4554596 32.9885759
-.0017016 .0000000 .0000000 .0000000
-.0130625 .0000000 .0000000 .0000000
-.0652823 .0000000 .0000000 .0000000
-.2345131 .0000000 .0000000 .0000000
-.5550008 .0000000 .0000000 .0000000
10.8206202 1.9072527
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.5458668
1.0000000
28.3915075 6.2702152 1.6963317
.0464465 .0000000
.2419362 .0000000
.5120700 .0000000
.4324829
1.0000000
1.8888
1.0000000
NE:tzp
triple zeta basis plus polarization (Ahlrichs)
6
0 0 0 1 1 2
1 2 2 1 2 1
5 2 2 3 2 1
20266.9328750 3040.1057052 691.8843262 195.7250277 63.5049704
-.0007091 .0000000 .0000000 .0000000 .0000000
-.0054758 .0000000 .0000000 .0000000 .0000000
-.0280099 .0000000 .0000000 .0000000 .0000000
-.1077303 .0000000 .0000000 .0000000 .0000000
-.3019647 .0000000 .0000000 .0000000 .0000000
22.5398700 8.3797266
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
1.6614610 .4898365
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
54.7567531 12.4406299 3.6819654
-.0171654 .0000000 .0000000
-.1077979 .0000000 .0000000
-.3222370 .0000000 .0000000
1.1443606 .3308616
1.0000000 .0000000
.0000000 1.0000000
1.8888
1.0000000
NE:tzplarge
triple zeta basis plus polarization (Ahlrichs)
7
0 0 0 0 1 1 2
1 2 2 1 1 2 1
5 2 2 1 4 2 1
25558.3983200 3832.9404804 872.2107378 246.5375541 79.6583949
-.0005057 .0000000 .0000000 .0000000 .0000000 .0000000
-.0039112 .0000000 .0000000 .0000000 .0000000 .0000000
-.0201348 .0000000 .0000000 .0000000 .0000000 .0000000
-.0792234 .0000000 .0000000 .0000000 .0000000 .0000000
-.2367580 .0000000 .0000000 .0000000 .0000000 .0000000
27.9197996 10.2071317
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.7883187 1.1153995
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3823401
1.0000000
99.7609664 23.1676890 7.1133899 2.4418574
.0065649 .0000000 .0000000
.0459582 .0000000 .0000000
.1734998 .0000000 .0000000
.3648608 .0000000 .0000000
.8344206 .2663988
1.0000000 .0000000
.0000000 1.0000000
1.8888
1.0000000
NE:qzp
quadruple zeta basis plus polarization (Ahlrichs)
7
0 0 0 1 1 1 1
1 3 2 1 2 1 1
6 3 2 4 2 1 1
61048.0001200 9149.3065762 2082.0949756 589.1124427 191.2157297
67.6928696
-.0001968 .0000000 .0000000 .0000000 .0000000 .0000000
-.0015271 .0000000 .0000000 .0000000 .0000000 .0000000
-.0079642 .0000000 .0000000 .0000000 .0000000 .0000000
-.0327144 .0000000 .0000000 .0000000 .0000000 .0000000
-.1101661 .0000000 .0000000 .0000000 .0000000 .0000000
-.2951088 .0000000 .0000000 .0000000 .0000000 .0000000
25.1079239 9.4812724 2.5044729
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
1.0074778 .3589119
1.0000000 .0000000
.0000000 1.0000000
174.9945784 41.1833058 12.9057153 4.6431716
-.0025956 .0000000 .0000000 .0000000
-.0196669 .0000000 .0000000 .0000000
-.0852230 .0000000 .0000000 .0000000
-.2309168 .0000000 .0000000 .0000000
1.7476880 .6432318
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.2229674
1.0000000
1.8888
1.0000000
CL:svp
split valence basis plus polarization (Ahlrichs)
6
0 0 0 1 1 2
1 1 2 1 2 1
5 3 2 5 2 1
10449.8275660 1571.7365221 357.1206552 100.2518594 30.8127276
.0019708 .0000000 .0000000 .0000000
.0147547 .0000000 .0000000 .0000000
.0666791 .0000000 .0000000 .0000000
.1722892 .0000000 .0000000 .0000000
.1588379 .0000000 .0000000 .0000000
51.9237894 5.7045761 2.3508377
-.1000930 .0000000 .0000000
.6084175 .0000000 .0000000
.5435215 .0000000 .0000000
.4460512 .1684886
1.0000000 .0000000
.0000000 1.0000000
307.6679057 72.1020155 22.5326803 7.8991765 2.8767268
-.0087801 .0000000 .0000000
-.0635634 .0000000 .0000000
-.2401643 .0000000 .0000000
-.4779887 .0000000 .0000000
-.3851585 .0000000 .0000000
.7745936 .2103770
1.0000000
0.0000000 1.0000000
.6500000
1.000000
CL:dzp
double zeta basis plus polarization
7
0 0 0 1 1 1 2
1 2 3 1 2 1 1
5 3 3 4 2 1 1
56684.8380000 8503.3349000 1935.7459000 548.9509300 180.5637200
.0006891 .0000000 .0000000 .0000000 .0000000 .0000000
.0053216 .0000000 .0000000 .0000000 .0000000 .0000000
.0272054 .0000000 .0000000 .0000000 .0000000 .0000000
.1040553 .0000000 .0000000 .0000000 .0000000 .0000000
.2837806 .0000000 .0000000 .0000000 .0000000 .0000000
66.5033430 26.0741590 6.1597909
.4622067 .0000000 .0000000 .0000000 .0000000
.3174547 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.4530894 .5502628 .1960932
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0000000 .0000000 1.0000000
293.0510100 68.6181320 21.4183990 7.4912517
.0106415 .0000000 .0000000 .0000000
.0764201 .0000000 .0000000 .0000000
.2833538 .0000000 .0000000 .0000000
.5450147 .0000000 .0000000 .0000000
2.7386125 .7084049
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1975506
1.0000000
.6500000
1.000000
CL:tzp
triple zeta basis plus polarization (Ahlrichs)
8
0 0 0 0 1 1 1 2
1 2 2 2 1 2 2 1
5 3 2 2 5 2 2 1
117805.7900000 17660.2650000 4018.5973000 1136.2231000 368.1206200
.0002418 .0000000 .0000000 .0000000 .0000000 .0000000
.0018743 .0000000 .0000000 .0000000 .0000000 .0000000
.0097363 .0000000 .0000000 .0000000 .0000000 .0000000
.0394947 .0000000 .0000000 .0000000 .0000000 .0000000
.1279717 .0000000 .0000000 .0000000 .0000000 .0000000
130.8615400 50.4790110 20.9168050
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4287409 .0000000 .0000000 .0000000
.0000000 .1966849 .0000000 .0000000 .0000000
6.3531388 2.4948014
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.5433595 .1943437
1.0000000
.0000000 1.0000000
681.0687900 161.1135900 51.3866370 18.9585120 3.0035158
.0023659 .0000000 .0000000 .0000000 .0000000
.0189407 .0000000 .0000000 .0000000 .0000000
.0878451 .0000000 .0000000 .0000000 .0000000
.2570744 .0000000 .0000000 .0000000 .0000000
.3715236 .0000000 .0000000 .0000000 .0000000
7.4565293 1.0609361
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3945202 .1332328
1.0000000 .0000000
.0000000 1.0000000
.6500000
1.000000
CL:tz2p
triple zeta basis plus double polarization (Ahlrichs)
9
0 0 0 0 1 1 1 2 2
1 2 2 2 1 2 2 1 1
5 3 2 2 5 2 2 1 1
117805.7900000 17660.2650000 4018.5973000 1136.2231000 368.1206200
.0002418 .0000000 .0000000 .0000000 .0000000 .0000000
.0018743 .0000000 .0000000 .0000000 .0000000 .0000000
.0097363 .0000000 .0000000 .0000000 .0000000 .0000000
.0394947 .0000000 .0000000 .0000000 .0000000 .0000000
.1279717 .0000000 .0000000 .0000000 .0000000 .0000000
130.8615400 50.4790110 20.9168050
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .4287409 .0000000 .0000000 .0000000
.0000000 .1966849 .0000000 .0000000 .0000000
6.3531388 2.4948014
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.5433595 .1943437
1.0000000
.0000000 1.0000000
681.0687900 161.1135900 51.3866370 18.9585120 3.0035158
.0023659 .0000000 .0000000 .0000000 .0000000
.0189407 .0000000 .0000000 .0000000 .0000000
.0878451 .0000000 .0000000 .0000000 .0000000
.2570744 .0000000 .0000000 .0000000 .0000000
.3715236 .0000000 .0000000 .0000000 .0000000
7.4565293 1.0609361
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3945202 .1332328
1.0000000 .0000000
.0000000 1.0000000
.38
1.000000
1.13
1.000000
CL:tzplarge
triple zeta basis plus polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 1 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 5 2 2 1 1
319768.1291700 47908.9796190 10902.3385640 3085.0548754 1001.7669156
355.7732035
.0001408 .0000000 .0000000 .0000000 .0000000 .0000000
.0010935 .0000000 .0000000 .0000000 .0000000 .0000000
.0057278 .0000000 .0000000 .0000000 .0000000 .0000000
.0238813 .0000000 .0000000 .0000000 .0000000 .0000000
.0840298 .0000000 .0000000 .0000000 .0000000 .0000000
.2503772 .0000000 .0000000 .0000000 .0000000 .0000000
133.8946826 53.1410351
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
22.0376834 6.6684151
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.5758319 .5365878
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1936542
1.0000000 .0000000 .0000000 .0000000 .0000000
1156.9470248 274.1852660 88.2480743 33.0408136 13.4730800
.0010276 .0000000 .0000000 .0000000 .0000000 .0000000
.0085972 .0000000 .0000000 .0000000 .0000000 .0000000
.0431486 .0000000 .0000000 .0000000 .0000000 .0000000
.1482811 .0000000 .0000000 .0000000 .0000000 .0000000
.3370819 .0000000 .0000000 .0000000 .0000000 .0000000
2.4439377 5.6972339
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.8761654 .3331650
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1186161
1.0000000
.6500000
1.000000
CL:tz2plarge
triple zeta basis plus double polarization (Ahlrichs)
11
0 0 0 0 0 1 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1 1
6 2 2 2 1 5 2 2 1 1 1
319768.1291700 47908.9796190 10902.3385640 3085.0548754 1001.7669156
355.7732035
.0001408 .0000000 .0000000 .0000000 .0000000 .0000000
.0010935 .0000000 .0000000 .0000000 .0000000 .0000000
.0057278 .0000000 .0000000 .0000000 .0000000 .0000000
.0238813 .0000000 .0000000 .0000000 .0000000 .0000000
.0840298 .0000000 .0000000 .0000000 .0000000 .0000000
.2503772 .0000000 .0000000 .0000000 .0000000 .0000000
133.8946826 53.1410351
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
22.0376834 6.6684151
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.5758319 .5365878
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1936542
1.0000000 .0000000 .0000000 .0000000 .0000000
1156.9470248 274.1852660 88.2480743 33.0408136 13.4730800
.0010276 .0000000 .0000000 .0000000 .0000000 .0000000
.0085972 .0000000 .0000000 .0000000 .0000000 .0000000
.0431486 .0000000 .0000000 .0000000 .0000000 .0000000
.1482811 .0000000 .0000000 .0000000 .0000000 .0000000
.3370819 .0000000 .0000000 .0000000 .0000000 .0000000
2.4439377 5.6972339
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.8761654 .3331650
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1186161
1.0000000
.38
1.000000
1.13
1.000000
HE:dzp
double zeta basis plus polarization (Ahlrichs)
2
0 1
2 1
4 1
38.3549367 5.7689081 1.2399407 .2975782
.0238143 .0000000
.1549091 .0000000
.4699810 .0000000
.0000000 1.0000000
1.0000000
1.0000000
HE:tzp
triple zeta basis plus polarization (Ahlrichs)
3
0 0 1
1 2 1
3 2 1
98.0783216 14.7644042 3.3185831
.0075803 .0000000 .0000000
.0548486 .0000000 .0000000
.2207438 .0000000 .0000000
.8741387 .2445990
1.0000000 .0000000
.0000000 1.0000000
1.0000000
1.0000000
HE:tzplarge
triple zeta basis plus polarization (Ahlrichs)
3
0 0 1
1 2 1
4 2 1
234.0637236 35.1740491 7.9911143 2.2124231
.0025863 .0000000 .0000000
.0195239 .0000000 .0000000
.0909818 .0000000 .0000000
.2720056 .0000000 .0000000
.6670699 .2089476
1.0000000 .0000000
.0000000 1.0000000
1.0000000
1.0000000
S:svp
split valence basis plus polarization (Ahlrichs)
6
0 0 0 1 1 2
1 1 2 1 2 1
5 3 2 5 2 1
9184.9303010 1381.5105503 313.8714758 88.0538706 27.0399149
-.0022294 .0000000 .0000000 .0000000
-.0166830 .0000000 .0000000 .0000000
-.0752624 .0000000 .0000000 .0000000
-.1937683 .0000000 .0000000 .0000000
-.1771802 .0000000 .0000000 .0000000
45.6487313 4.9664522 2.0116242
-.1073606 .0000000 .0000000
.6506629 .0000000 .0000000
.5971216 .0000000 .0000000
.3566108 .1350722
1.0000000 .0000000
.0000000 1.0000000
261.9823344 61.3068947 19.1037299 6.6567720 2.3959635
-.0092730 .0000000 .0000000
-.0665477 .0000000 .0000000
-.2482860 .0000000 .0000000
-.4870385 .0000000 .0000000
-.3933785 .0000000 .0000000
.6177616 .1699338
1.0000000 .0000000
.0000000 1.0000000
.5500000
1.0000000
S:dzp
double zeta basis plus polarization (Ahlrichs)
7
0 0 0 1 1 1 2
1 2 3 1 2 1 1
5 3 3 4 2 1 1
49931.3060000 7490.2711000 1705.1055000 483.4788400 158.9058900
.0006327 .0000000 .0000000 .0000000 .0000000 .0000000
.0048859 .0000000 .0000000 .0000000 .0000000 .0000000
.0249720 .0000000 .0000000 .0000000 .0000000 .0000000
.0954541 .0000000 .0000000 .0000000 .0000000 .0000000
.2601100 .0000000 .0000000 .0000000 .0000000 .0000000
58.4131860 22.8417670 5.3498518
.4609598 .0000000 .0000000 .0000000 .0000000
.3130623 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.0927789 .4422500 .1587434
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0000000 .0000000 1.0000000
253.9644200 59.3945760 18.4938710 6.4332816
.0098390 .0000000 .0000000 .0000000
.0702418 .0000000 .0000000 .0000000
.2588756 .0000000 .0000000 .0000000
.4971732 .0000000 .0000000 .0000000
2.3192912 .5741082
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1615119
1.0000000
.5500000
1.0000000
S:tzp
triple zeta basis plus polarization (Ahlrichs)
8
0 0 0 0 1 1 1 2
1 2 2 2 1 2 2 1
5 3 2 2 5 2 2 1
103953.9500000 15583.7860000 3546.1293000 1002.6808000 324.9028800
.0002474 .0000000 .0000000 .0000000 .0000000 .0000000
.0019178 .0000000 .0000000 .0000000 .0000000 .0000000
.0099610 .0000000 .0000000 .0000000 .0000000 .0000000
.0403864 .0000000 .0000000 .0000000 .0000000 .0000000
.1306752 .0000000 .0000000 .0000000 .0000000 .0000000
115.5122500 44.5282100 18.3978920
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .5040355 .0000000 .0000000 .0000000
.0000000 .2306805 .0000000 .0000000 .0000000
5.5100683 2.1259867
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.4369189 .1573085
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
606.6936700 143.5069600 45.7461600 16.8729120 6.6399196
.0023230 .0000000 .0000000 .0000000 .0000000
.0185705 .0000000 .0000000 .0000000 .0000000
.0860327 .0000000 .0000000 .0000000 .0000000
.2524843 .0000000 .0000000 .0000000 .0000000
.4463274 .0000000 .0000000 .0000000 .0000000
2.6727135 1.0000089
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3543894 .1167130
1.0000000 .0000000
.0000000 1.0000000
.5500000
1.0000000
S:tz2p
triple zeta basis plus double polarization (Ahlrichs)
9
0 0 0 0 1 1 1 2 2
1 2 2 2 1 2 2 1 1
5 3 2 2 5 2 2 1 1
103953.9500000 15583.7860000 3546.1293000 1002.6808000 324.9028800
.0002474 .0000000 .0000000 .0000000 .0000000 .0000000
.0019178 .0000000 .0000000 .0000000 .0000000 .0000000
.0099610 .0000000 .0000000 .0000000 .0000000 .0000000
.0403864 .0000000 .0000000 .0000000 .0000000 .0000000
.1306752 .0000000 .0000000 .0000000 .0000000 .0000000
115.5122500 44.5282100 18.3978920
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 .5040355 .0000000 .0000000 .0000000
.0000000 .2306805 .0000000 .0000000 .0000000
5.5100683 2.1259867
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.4369189 .1573085
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
606.6936700 143.5069600 45.7461600 16.8729120 6.6399196
.0023230 .0000000 .0000000 .0000000 .0000000
.0185705 .0000000 .0000000 .0000000 .0000000
.0860327 .0000000 .0000000 .0000000 .0000000
.2524843 .0000000 .0000000 .0000000 .0000000
.4463274 .0000000 .0000000 .0000000 .0000000
2.6727135 1.0000089
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3543894 .1167130
1.0000000 .0000000
.0000000 1.0000000
.320000
1.0000000
.950000
1.0000000
S:tzplarge
triple zeta basis plus polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 1 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 5 2 2 1 1
275780.0157300 41318.9953020 9402.7101710 2660.7021742 863.9857213
306.8457959
.0001352 .0000000 .0000000 .0000000 .0000000 .0000000
.0010503 .0000000 .0000000 .0000000 .0000000 .0000000
.0055006 .0000000 .0000000 .0000000 .0000000 .0000000
.0229221 .0000000 .0000000 .0000000 .0000000 .0000000
.0805238 .0000000 .0000000 .0000000 .0000000 .0000000
.2389238 .0000000 .0000000 .0000000 .0000000 .0000000
115.4687324 45.8235092
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
19.0142469 5.7318144
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.1808367 .4323321
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1568176
1.0000000 .0000000 .0000000 .0000000 .0000000
987.5520971 234.0227780 75.2524382 28.1279784 11.4377656
.0010198 .0000000 .0000000 .0000000 .0000000 .0000000
.0084993 .0000000 .0000000 .0000000 .0000000 .0000000
.0423620 .0000000 .0000000 .0000000 .0000000 .0000000
.1442394 .0000000 .0000000 .0000000 .0000000 .0000000
.3239160 .0000000 .0000000 .0000000 .0000000 .0000000
4.8115565 2.0447365
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.7207799 .2746371
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0985873
1.0000000
.5500000
1.0000000
S:tz2plarge
triple zeta basis plus double polarization (Ahlrichs)
11
0 0 0 0 0 1 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1 1
6 2 2 2 1 5 2 2 1 1 1
275780.0157300 41318.9953020 9402.7101710 2660.7021742 863.9857213
306.8457959
.0001352 .0000000 .0000000 .0000000 .0000000 .0000000
.0010503 .0000000 .0000000 .0000000 .0000000 .0000000
.0055006 .0000000 .0000000 .0000000 .0000000 .0000000
.0229221 .0000000 .0000000 .0000000 .0000000 .0000000
.0805238 .0000000 .0000000 .0000000 .0000000 .0000000
.2389238 .0000000 .0000000 .0000000 .0000000 .0000000
115.4687324 45.8235092
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
19.0142469 5.7318144
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
2.1808367 .4323321
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1568176
1.0000000 .0000000 .0000000 .0000000 .0000000
987.5520971 234.0227780 75.2524382 28.1279784 11.4377656
.0010198 .0000000 .0000000 .0000000 .0000000 .0000000
.0084993 .0000000 .0000000 .0000000 .0000000 .0000000
.0423620 .0000000 .0000000 .0000000 .0000000 .0000000
.1442394 .0000000 .0000000 .0000000 .0000000 .0000000
.3239160 .0000000 .0000000 .0000000 .0000000 .0000000
4.8115565 2.0447365
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.7207799 .2746371
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0985873
1.0000000
.32000
1.0000000
.95000
1.0000000
LI:svp
split valence basis plus polarization (Ahlrichs)
3
0 0 1
1 2 1
5 2 1
266.2778552 40.0697834 9.0559944 2.4503009 .7220957
.0064920 .0000000 .0000000
.0477479 .0000000 .0000000
.2026880 .0000000 .0000000
.4860657 .0000000 .0000000
.4362698 .0000000 .0000000
.0528109 .0209609
1.0000000 .0000000
.0000000 1.0000000
.1700000
1.0000000
LI:dzp
double zeta basis plus polarization (Ahlrichs)
3
0 0 1
1 3 1
5 3 1
1484.2786000 222.6999200 50.6845460 14.3166660 4.5943260
.0007625 .0000000 .0000000 .0000000
.0058725 .0000000 .0000000 .0000000
.0296858 .0000000 .0000000 .0000000
.1098372 .0000000 .0000000 .0000000
.2853470 .0000000 .0000000 .0000000
1.5829911 .5622589 .0478711
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0000000 .0000000 1.0000000
.1700000
1.0000000
LI:tzp
triple zeta basis plus polarization (Ahlrichs)
3
0 0 1
1 3 1
6 3 1
1666.7621299 250.0454987 56.9050887 16.0727967 5.1536464
1.7619301
.0007265 .0000000 .0000000 .0000000
.0056016 .0000000 .0000000 .0000000
.0284510 .0000000 .0000000 .0000000
.1069494 .0000000 .0000000 .0000000
.2886318 .0000000 .0000000 .0000000
.5013777 .0000000 .0000000 .0000000
.6133421 .0765894 .0292734
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0000000 .0000000 1.0000000
.1700000
1.0000000
LI:tzplarge
triple zeta basis plus polarization (Ahlrichs)
4
0 0 0 1
1 3 2 1
5 3 2 1
3341.4028812 500.9515931 114.0110311 32.2654731 10.4720585
.0006883 .0000000 .0000000 .0000000 .0000000 .0000000
.0053296 .0000000 .0000000 .0000000 .0000000 .0000000
.0275644 .0000000 .0000000 .0000000 .0000000 .0000000
.1098824 .0000000 .0000000 .0000000 .0000000 .0000000
.3394305 .0000000 .0000000 .0000000 .0000000 .0000000
3.6978284 1.3712085 .5190846
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.0745329 .0282336
1.0000000 .0000000
.0000000 1.0000000
.1700000
1.0000000
O:pz2p
pentuple zeta plus double polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 4 2 2 1 1
125915.6144200 18852.6248400 4289.0658708 1214.2628862 395.7828657
142.5727043
.0000390 .0000000 .0000000 .0000000 .0000000 .0000000
.0003030 .0000000 .0000000 .0000000 .0000000 .0000000
.0015904 .0000000 .0000000 .0000000 .0000000 .0000000
.0066652 .0000000 .0000000 .0000000 .0000000 .0000000
.0236855 .0000000 .0000000 .0000000 .0000000 .0000000
.0721652 .0000000 .0000000 .0000000 .0000000 .0000000
55.2758926 22.6545067
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
9.7161218 4.2513578
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.3698363 .5331786
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.2013027
1.0000000 .0000000 .0000000 .0000000 .0000000
191.0999422 45.2137232 14.3498880 5.2421108
.0008567 .0000000 .0000000 .0000000 .0000000
.0068357 .0000000 .0000000 .0000000 .0000000
.0319135 .0000000 .0000000 .0000000 .0000000
.1043636 .0000000 .0000000 .0000000 .0000000
2.0791956 .8426972
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3361151 .1286322
1.0000000 .0000000
.0000000 1.0000000
0.69
1.0000000
2.08
1.0000000
O:pz3d2f
pentuple zeta plus triple polarization plus two f functions (Ahlrichs)
13
0 0 0 0 0 1 1 1 2 2 2 3 3
1 2 2 2 1 1 2 2 1 1 1 1 1
6 2 2 2 1 4 2 2 1 1 1 1 1
125915.6144200 18852.6248400 4289.0658708 1214.2628862 395.7828657
142.5727043
.0000390 .0000000 .0000000 .0000000 .0000000 .0000000
.0003030 .0000000 .0000000 .0000000 .0000000 .0000000
.0015904 .0000000 .0000000 .0000000 .0000000 .0000000
.0066652 .0000000 .0000000 .0000000 .0000000 .0000000
.0236855 .0000000 .0000000 .0000000 .0000000 .0000000
.0721652 .0000000 .0000000 .0000000 .0000000 .0000000
55.2758926 22.6545067
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
9.7161218 4.2513578
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.3698363 .5331786
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.2013027
1.0000000 .0000000 .0000000 .0000000 .0000000
191.0999422 45.2137232 14.3498880 5.2421108
.0008567 .0000000 .0000000 .0000000 .0000000
.0068357 .0000000 .0000000 .0000000 .0000000
.0319135 .0000000 .0000000 .0000000 .0000000
.1043636 .0000000 .0000000 .0000000 .0000000
2.0791956 .8426972
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3361151 .1286322
1.0000000 .0000000
.0000000 1.0000000
3.775
1.0000000
1.300
1.0000000
0.444
1.0000000
2.666
1.0000000
0.859
1.0000000
F:pz2p
pentuple zeta basis plus double polarization (AHlrichs)
10
0 0 0 0 0 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 4 2 2 1 1
159499.7949700 23891.6072210 5440.0598370 1541.5172577 502.7160162
181.0928902
.0000391 .0000000 .0000000 .0000000 .0000000 .0000000
.0003038 .0000000 .0000000 .0000000 .0000000 .0000000
.0015927 .0000000 .0000000 .0000000 .0000000 .0000000
.0066685 .0000000 .0000000 .0000000 .0000000 .0000000
.0237004 .0000000 .0000000 .0000000 .0000000 .0000000
.0723292 .0000000 .0000000 .0000000 .0000000 .0000000
70.1904245 28.7684434
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
12.3465131 5.4103891
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.7707870 .6868536
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.2573326
1.0000000 .0000000 .0000000 .0000000 .0000000
241.1554214 57.0624884 18.1418258 6.6521340
.0008499 .0000000 .0000000 .0000000 .0000000
.0068133 .0000000 .0000000 .0000000 .0000000
.0320035 .0000000 .0000000 .0000000 .0000000
.1036771 .0000000 .0000000 .0000000 .0000000
2.6399927 1.0645960
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.4195656 .1575643
1.0000000 .0000000
.0000000 1.0000000
0.81000000
1.0000000
2.420000
1.0000000
F:pz3d2f
pentuple zeta basis plus triple polarization and two f-functions (AHlrichs)
13
0 0 0 0 0 1 1 1 2 2 2 3 3
1 2 2 2 1 1 2 2 1 1 1 1 1
6 2 2 2 1 4 2 2 1 1 1 1 1
159499.7949700 23891.6072210 5440.0598370 1541.5172577 502.7160162
181.0928902
.0000391 .0000000 .0000000 .0000000 .0000000 .0000000
.0003038 .0000000 .0000000 .0000000 .0000000 .0000000
.0015927 .0000000 .0000000 .0000000 .0000000 .0000000
.0066685 .0000000 .0000000 .0000000 .0000000 .0000000
.0237004 .0000000 .0000000 .0000000 .0000000 .0000000
.0723292 .0000000 .0000000 .0000000 .0000000 .0000000
70.1904245 28.7684434
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
12.3465131 5.4103891
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.7707870 .6868536
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.2573326
1.0000000 .0000000 .0000000 .0000000 .0000000
241.1554214 57.0624884 18.1418258 6.6521340
.0008499 .0000000 .0000000 .0000000 .0000000
.0068133 .0000000 .0000000 .0000000 .0000000
.0320035 .0000000 .0000000 .0000000 .0000000
.1036771 .0000000 .0000000 .0000000 .0000000
2.6399927 1.0645960
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.4195656 .1575643
1.0000000 .0000000
.0000000 1.0000000
5.0140000
1.0000000 0.0000000 0.0000000
1.7250000
1.0000000 0.0000000 0.0000000
0.5860000
1.0000000 0.0000000 0.0000000
3.5620000
1.0000000 0.0000000 0.0000000
1.1480000
1.0000000 0.0000000 0.0000000
CL:qz2p
quadruple zeta basis plus double polarization (Ahlrichs)
12
0 0 0 0 0 0 1 1 1 1 2 2
1 2 2 2 2 1 1 2 2 2 1 1
6 2 2 2 2 1 6 2 2 2 1 1
676289.2509400101324.8846700 23068.6874070 6536.5232367 2132.1154941
767.8623491
.0000473 .0000000 .0000000 .0000000 .0000000 .0000000
.0003677 .0000000 .0000000 .0000000 .0000000 .0000000
.0019294 .0000000 .0000000 .0000000 .0000000 .0000000
.0080921 .0000000 .0000000 .0000000 .0000000 .0000000
.0289165 .0000000 .0000000 .0000000 .0000000 .0000000
.0897729 .0000000 .0000000 .0000000 .0000000 .0000000
297.3065363 121.8337344
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
52.3488890 23.0473669
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
8.1455364 3.6536757
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.6859778 .5124639
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1819687
1.0000000 .0000000 .0000000 .0000000 .0000000
2951.9051373 699.1669238 226.9702838 86.2870692 36.0682529
15.9508255
.0002290 .0000000 .0000000 .0000000 .0000000 .0000000
.0020017 .0000000 .0000000 .0000000 .0000000 .0000000
.0109726 .0000000 .0000000 .0000000 .0000000 .0000000
.0440610 .0000000 .0000000 .0000000 .0000000 .0000000
.1354339 .0000000 .0000000 .0000000 .0000000 .0000000
.3064716 .0000000 .0000000 .0000000 .0000000 .0000000
3.2630665 7.1919747
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.4294059 .6342979
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.2583808 .0997628
1.0000000
.0000000 1.0000000
.38
1.0000000
1.13
1.00000000
N:pz2p
pentuple zeta basis plus double polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 4 2 2 1 1
95630.8094580 14346.1749930 3266.3047300 924.8837440 301.5424457
108.6740555
.0000391 .0000000 .0000000 .0000000 .0000000 .0000000
.0003035 .0000000 .0000000 .0000000 .0000000 .0000000
.0015925 .0000000 .0000000 .0000000 .0000000 .0000000
.0066721 .0000000 .0000000 .0000000 .0000000 .0000000
.0236854 .0000000 .0000000 .0000000 .0000000 .0000000
.0720061 .0000000 .0000000 .0000000 .0000000 .0000000
42.1516475 17.2711312
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
7.3970846 3.2275503
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.0161596 .3970172
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1514180
1.0000000 .0000000 .0000000 .0000000 .0000000
150.0821551 35.5068026 11.2482901 4.0898740
-.0008612 .0000000 .0000000 .0000000 .0000000
-.0068455 .0000000 .0000000 .0000000 .0000000
-.0317716 .0000000 .0000000 .0000000 .0000000
-.1052638 .0000000 .0000000 .0000000 .0000000
1.6217042 .6639589
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2707180 .1067811
1.0000000 .0000000
.0000000 1.0000000
.5800000
1.0000000 .0000000 .0000000
1.730000
1.0000000 .0000000 .0000000
N:pz3d2f
pentuple zeta basis plus triple polarization plus two f-functions (Ahlrichs)
13
0 0 0 0 0 1 1 1 2 2 2 3 3
1 2 2 2 1 1 2 2 1 1 1 1 1
6 2 2 2 1 4 2 2 1 1 1 1 1
95630.8094580 14346.1749930 3266.3047300 924.8837440 301.5424457
108.6740555
.0000391 .0000000 .0000000 .0000000 .0000000 .0000000
.0003035 .0000000 .0000000 .0000000 .0000000 .0000000
.0015925 .0000000 .0000000 .0000000 .0000000 .0000000
.0066721 .0000000 .0000000 .0000000 .0000000 .0000000
.0236854 .0000000 .0000000 .0000000 .0000000 .0000000
.0720061 .0000000 .0000000 .0000000 .0000000 .0000000
42.1516475 17.2711312
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
7.3970846 3.2275503
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.0161596 .3970172
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1514180
1.0000000 .0000000 .0000000 .0000000 .0000000
150.0821551 35.5068026 11.2482901 4.0898740
-.0008612 .0000000 .0000000 .0000000 .0000000
-.0068455 .0000000 .0000000 .0000000 .0000000
-.0317716 .0000000 .0000000 .0000000 .0000000
-.1052638 .0000000 .0000000 .0000000 .0000000
1.6217042 .6639589
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2707180 .1067811
1.0000000 .0000000
.0000000 1.0000000
2.837
1.0000000 .0000000 .0000000
0.968
1.0000000 .0000000 .0000000
0.335
1.0000000
2.027
1.0000000
0.685
1.0000000
P:qz2p
quadruple zeta basis plus double polarization (Ahlrichs)
12
0 0 0 0 0 0 1 1 1 1 2 2
1 2 2 2 2 1 1 2 2 2 1 1
6 2 2 2 2 1 6 2 2 2 1 1
561557.2068700 84013.6540740 19095.5908820 5405.0469480 1762.2518102
634.5854892
.0000307 .0000000 .0000000 .0000000 .0000000 .0000000
.0002390 .0000000 .0000000 .0000000 .0000000 .0000000
.0012566 .0000000 .0000000 .0000000 .0000000 .0000000
.0052773 .0000000 .0000000 .0000000 .0000000 .0000000
.0188835 .0000000 .0000000 .0000000 .0000000 .0000000
.0587994 .0000000 .0000000 .0000000 .0000000 .0000000
245.7227609 100.6294056
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
43.0942762 18.8336983
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
6.8319095 3.0821108
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.3805386 .3383060
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1202471
1.0000000 .0000000 .0000000 .0000000 .0000000
2227.1309170 526.4780937 170.6930633 64.8084344 27.0708331
12.0059024
.0002056 .0000000 .0000000 .0000000 .0000000 .0000000
.0018006 .0000000 .0000000 .0000000 .0000000 .0000000
.0098265 .0000000 .0000000 .0000000 .0000000 .0000000
.0391053 .0000000 .0000000 .0000000 .0000000 .0000000
.1186518 .0000000 .0000000 .0000000 .0000000 .0000000
.2635493 .0000000 .0000000 .0000000 .0000000 .0000000
5.4598895 2.5123390
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
1.1518272 .4700651
1.0000000 .0000000 .0000000
0.0000000 1.0000000 .0000000
.1884760 .0732866
1.0000000 .0000000 .0000000
0.0000000 1.0000000 .0000000
.26
1.0000000
.78
1.0000000
B:svp
split valence (7s4p primitive) plus polarization (Ahlrichs basis)
5
0 0 1 1 2
1 2 1 1 1
5 2 3 1 1
839.3183009 126.2646484 28.6206008 7.8793723 2.4088857
-.0055929 .0000000 .0000000
-.0415655 .0000000 .0000000
-.1829982 .0000000 .0000000
-.4654039 .0000000 .0000000
-.4417388 .0000000 .0000000
.2510511 .0836489
1.0000000 .0000000
.0000000 1.0000000
6.0332224 1.2499158 .3387168
-.0356037 .0000000
-.1989578 .0000000
-.5085020 .0000000
.0964156
1.0000000
.5000000
1.0000000
B:dzp
double polarization (8s4p primitive) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 1 1 1 1
5 2 1 3 1 1
2410.2061000 361.8699200 82.3085930 23.1099420 7.2517259
.0017550 .0000000 .0000000 .0000000
.0134364 .0000000 .0000000 .0000000
.0663690 .0000000 .0000000 .0000000
.2302530 .0000000 .0000000 .0000000
.5149821 .0000000 .0000000 .0000000
2.3666469 .3598708
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.1116289
1.0000000
6.0017073 1.2401097 .3366802
-.0355453 .0000000
-.1983450 .0000000
-.5047873 .0000000
.0955909
1.0000000
.5000000
1.0000000
B:tzplarge
triple zeta (10s6p primitives) plus polarization (Ahlrichs basis)
7
0 0 0 0 1 1 2
1 2 2 1 1 2 1
5 2 2 1 4 2 1
5658.4992000 848.6970300 193.1365600 54.5863170 17.6001260
.0005521 .0000000 .0000000 .0000000 .0000000 .0000000
.0042651 .0000000 .0000000 .0000000 .0000000 .0000000
.0218532 .0000000 .0000000 .0000000 .0000000 .0000000
.0845707 .0000000 .0000000 .0000000 .0000000 .0000000
.2430476 .0000000 .0000000 .0000000 .0000000 .0000000
6.1269618 2.2245270
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.5565035 .2387623
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0857940
1.0000000
22.4558020 5.1030675 1.4984096 .5098907
-.0050261 .0000000 .0000000
-.0328270 .0000000 .0000000
-.1314094 .0000000 .0000000
-.3312526 .0000000 .0000000
.1819135 .0648272
1.0000000 .0000000
.0000000 1.0000000
.5000000
1.0000000
B:tzp
triple zeta (9s5p primitives) plus polarization (Ahlrichs basis)
6
0 0 0 1 1 2
1 2 2 1 2 1
5 2 2 3 2 1
4896.2210000 734.4699800 167.1525300 47.2546880 15.2538150
.0006649 .0000000 .0000000 .0000000 .0000000
.0051312 .0000000 .0000000 .0000000 .0000000
.0261714 .0000000 .0000000 .0000000 .0000000
.0997066 .0000000 .0000000 .0000000 .0000000
.2753155 .0000000 .0000000 .0000000 .0000000
5.3325783 1.9406529
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3313052 .1040601
1.0000000 .0000000
.0000000 1.0000000
12.0543230 2.6121298 .7469676
-.0134352 .0000000 .0000000
-.0819531 .0000000 .0000000
-.2840766 .0000000 .0000000
.2387489 .0772200
1.0000000 .0000000
.0000000 1.0000000
.5000000
1.0000000
B:tz2p
triple zeta (9s5p primitives) plus double polarization (Ahlrichs basis)
7
0 0 0 1 1 2 2
1 2 2 1 2 1 1
5 2 2 3 2 1 1
4896.2210000 734.4699800 167.1525300 47.2546880 15.2538150
.0006649 .0000000 .0000000 .0000000 .0000000
.0051312 .0000000 .0000000 .0000000 .0000000
.0261714 .0000000 .0000000 .0000000 .0000000
.0997066 .0000000 .0000000 .0000000 .0000000
.2753155 .0000000 .0000000 .0000000 .0000000
5.3325783 1.9406529
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.3313052 .1040601
1.0000000 .0000000
.0000000 1.0000000
12.0543230 2.6121298 .7469676
-.0134352 .0000000 .0000000
-.0819531 .0000000 .0000000
-.2840766 .0000000 .0000000
.2387489 .0772200
1.0000000 .0000000
.0000000 1.0000000
.2900000
1.0000000
.8700000
1.0000000
B:qzp
quadruple zeta (11s7p primitives) plus polarization (Ahlrichs basis)
7
0 0 0 1 1 1 2
1 3 2 1 2 1 1
6 3 2 4 2 1 1
13036.4895210 1953.9818502 444.6779894 125.8369861 40.8628349
14.4630144
.0002129 .0000000 .0000000 .0000000 .0000000 .0000000
.0016510 .0000000 .0000000 .0000000 .0000000 .0000000
.0085903 .0000000 .0000000 .0000000 .0000000 .0000000
.0349855 .0000000 .0000000 .0000000 .0000000 .0000000
.1147942 .0000000 .0000000 .0000000 .0000000 .0000000
.2912867 .0000000 .0000000 .0000000 .0000000 .0000000
5.3553845 2.0214610 .4695345
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.2008720 .0776474
1.0000000 .0000000
.0000000 1.0000000
40.0062556 9.3434421 2.8365145 .9913531
.0019679 .0000000 .0000000 .0000000
.0140139 .0000000 .0000000 .0000000
.0591044 .0000000 .0000000 .0000000
.1815970 .0000000 .0000000 .0000000
.3759004 .1457794
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0561127
1.0000000
.5000000
1.0000000
B:qz2p
quadruple zeta (11s7p primitives) plus double polarization (Ahlrichs basis)
8
0 0 0 1 1 1 2 2
1 3 2 1 2 1 1 1
6 3 2 4 2 1 1 1
13036.4895210 1953.9818502 444.6779894 125.8369861 40.8628349
14.4630144
.0002129 .0000000 .0000000 .0000000 .0000000 .0000000
.0016510 .0000000 .0000000 .0000000 .0000000 .0000000
.0085903 .0000000 .0000000 .0000000 .0000000 .0000000
.0349855 .0000000 .0000000 .0000000 .0000000 .0000000
.1147942 .0000000 .0000000 .0000000 .0000000 .0000000
.2912867 .0000000 .0000000 .0000000 .0000000 .0000000
5.3553845 2.0214610 .4695345
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000 .0000000
.2008720 .0776474
1.0000000 .0000000
.0000000 1.0000000
40.0062556 9.3434421 2.8365145 .9913531
.0019679 .0000000 .0000000 .0000000
.0140139 .0000000 .0000000 .0000000
.0591044 .0000000 .0000000 .0000000
.1815970 .0000000 .0000000 .0000000
.3759004 .1457794
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.0561127
1.0000000
.2900000
1.0000000
.8700000
1.0000000
C:pz2p
pentuple zeta basis plus double polarization (Ahlrichs)
10
0 0 0 0 0 1 1 1 2 2
1 2 2 2 1 1 2 2 1 1
6 2 2 2 1 4 2 2 1 1
69878.3252650 10475.3482480 2384.9863261 675.5202814 220.3028159
79.4139307
.0000392 .0000000 .0000000 .0000000 .0000000 .0000000
.0003040 .0000000 .0000000 .0000000 .0000000 .0000000
.0015946 .0000000 .0000000 .0000000 .0000000 .0000000
.0066765 .0000000 .0000000 .0000000 .0000000 .0000000
.0236788 .0000000 .0000000 .0000000 .0000000 .0000000
.0718320 .0000000 .0000000 .0000000 .0000000 .0000000
30.8033819 12.6095313
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
5.3876356 2.3419261
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.7143460 .2818262
1.0000000
.0000000 1.0000000
.1088515
1.0000000 .0000000
106.2506215 25.1237401 7.9290068 2.8598920
.0008281
.0065080
.0296961
.0988884
1.1286219 .4623700
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1899461 .0761449
1.0000000 .0000000
.0000000 1.0000000
.4600000
1.0000000
1.390000
1.0000000
C:pz3d2f
pentuple zeta basis plus triple polarization plus 2 f (Ahlrichs)
13
0 0 0 0 0 1 1 1 2 2 2 3 3
1 2 2 2 1 1 2 2 1 1 1 1 1
6 2 2 2 1 4 2 2 1 1 1 1 1
69878.3252650 10475.3482480 2384.9863261 675.5202814 220.3028159
79.4139307
.0000392 .0000000 .0000000 .0000000 .0000000 .0000000
.0003040 .0000000 .0000000 .0000000 .0000000 .0000000
.0015946 .0000000 .0000000 .0000000 .0000000 .0000000
.0066765 .0000000 .0000000 .0000000 .0000000 .0000000
.0236788 .0000000 .0000000 .0000000 .0000000 .0000000
.0718320 .0000000 .0000000 .0000000 .0000000 .0000000
30.8033819 12.6095313
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
5.3876356 2.3419261
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.7143460 .2818262
1.0000000
.0000000 1.0000000
.1088515
1.0000000 .0000000
106.2506215 25.1237401 7.9290068 2.8598920
.0008281 .0000000 .0000000 .0000000 .0000000
.0065080 .0000000 .0000000 .0000000 .0000000
.0296961 .0000000 .0000000 .0000000 .0000000
.0988884 .0000000 .0000000 .0000000 .0000000
1.1286219 .4623700
1.0000000 .0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000 .0000000
.1899461 .0761449
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
1.84800000
1.0000000
0.6490000
1.0000000
0.2280000
1.0000000
1.419
1.0000000
0.485
1.0000000
H:pz3p
pentuple zeta (8s primitive set) plus triple polarization (Ahlrichs basis)
6
0 0 0 1 1 1
1 2 2 1 1 1
4 2 2 1 1 1
418.56108023 62.745732323 14.279648916 4.0418299129
.0026559
.0205875
.1069490
.4333780
1.3163925229 .47346270504
1.0000000 .0000000
.0000000 1.000000
.18280016580 .072884437787
1.0000000 .0000000
.0000000 1.000000
2.2920000
1.0000000
0.8380000
1.0000000
0.2920000
1.0000000
References for Basis sets:
A. Schaefer, H. Horn, R. Ahlrichs, J. Chem. Phys. 97 (1992) 2571
The polarization functions for the pz3p2f basis were taken from
Dunnings correlation consistent PVQZ basis, f-function exponents
for the qz2p1f basis were taken from the PVTZ basis of Dunning.
H:PBS
(6.4)/[3.2] POLARIZED BASIS SET FROM SADLEJ
2
0 1
3 2
6 4
33.865014 5.094788 1.158786 0.325840 0.102741
0.0324000
0.0060680 0.0000000 0.0000000
0.0453160 0.0000000 0.0000000
0.2028460 0.0000000 0.0000000
0.5037090 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.158800 0.325800 0.102700 0.032400
0.1884400 0.0000000
0.8824200 0.0000000
0.0000000 0.1178000
0.0000000 0.0042000
C:PBS
(10.6.4)/[5.3.2] POLARIZED BASIS SET FROM SADLEJ
4
0 0 1 2
1 4 3 2
5 5 6 4
5240.6353 782.20480 178.35083 50.815942 16.823562
0.000937
0.007228
0.036344
0.130600
0.318931
6.175776 2.418049 0.511900 0.156590 0.047900
0.4387420 0.0000000 0.0000000 0.0000000
0.2149740 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
18.841800 4.159240 1.206710 0.385540 0.121940
0.038568
0.0138870 0.0000000 0.0000000
0.0862790 0.0000000 0.0000000
0.2887440 0.0000000 0.0000000
0.4994110 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.206700 0.385500 0.121900 0.038600
0.2628500 0.0000000
0.8043000 0.0000000
0.0000000 0.6535000
0.0000000 0.8636000
N:PBS
(10.6.4)/[5.3.2] POLARIZED BASIS FROM SADLEJ
4
0 0 1 2
1 4 3 2
5 5 6 4
8104.07160 1216.02150 277.23428 76.904023 25.874419
0.0008020
0.0061740
0.0312330
0.1151980
0.2969510
9.346767 3.579794 0.739610 0.222617 0.067006
0.4473490 0.0000000 0.0000000 0.0000000
0.2450030 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
26.868987 5.991227 1.750842 0.560511 0.175948
0.055231
0.0144780 0.0000000 0.0000000
0.0911560 0.0000000 0.0000000
0.2974200 0.0000000 0.0000000
0.4937960 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.75080 0.56050 0.17959 0.05520
0.2247700 0.0000000
0.6595600 0.0000000
0.0000000 0.8713600
0.0000000 0.7042200
O:PBS
(10.6.4)/[5.3.2] POLARIZED BASIS FROM SADLEJ
4
0 0 1 2
1 4 3 2
5 5 6 4
10662.2850 1599.70970 364.72526 103.65179 33.905805
0.0007990
0.0061530
0.0311570
0.1155960
0.3015520
12.287469 4.7568050 1.004271 0.300686 0.0900300
0.4448700 0.0000000 0.0000000 0.0000000
0.2431720 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
34.856463 7.843131 2.306249 0.723164 0.214882
0.063850
0.0156480 0.0000000 0.0000000
0.0981970 0.0000000 0.0000000
0.3077680 0.0000000 0.0000000
0.4924700 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.30620 0.72320 0.21490 0.06390
0.2027000 0.0000000
0.5791000 0.0000000
0.0000000 0.7854500
0.0000000 0.5338700
F:PBS
(10.6.4)/[5.3.2] POLARIZED BASIS FROM SADLEJ
4
0 0 1 2
1 4 3 2
5 5 6 4
13521.523 2028.6916 462.37392 131.37366 42.974531
0.0008010
0.0061640
0.0312440
0.1160810
0.3035890
15.571440 6.032232 1.307215 0.388869 0.115680
0.4459040 0.0000000 0.0000000 0.0000000
0.2391150 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
44.147303 9.993426 2.953246 0.918597 0.266824
0.077500
0.0165090 0.0000000 0.0000000
0.1034810 0.0000000 0.0000000
0.3154810 0.0000000 0.0000000
0.4893530 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
2.9532 0.9186 0.2668 0.0775
0.1835400 0.0000000
0.5105800 0.0000000
0.0000000 0.6992500
0.0000000 0.4292600
SI:PBS
(14.10.4)/[7.5.2] BASIS FROM SADLEJ
6
0 0 0 1 1 2
1 1 5 1 4 2
6 3 5 6 4 4
69379.23 10354.94 2333.88 657.14 214.30
77.6290
0.0007570
0.0059320
0.0310880
0.1249660
0.3868960
0.5548900
77.6290 30.631 12.801
0.1778820
0.6277560
0.2476310
3.9269 1.4523 0.2562 0.0943 0.0347
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
335.480 78.900 24.988 9.2197 3.6211
1.4513
0.0036160
0.0278660
0.1186780
0.2987500
0.4411920
0.3127010
0.5050 0.1863 0.0654 0.0230
1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.5050 0.1863 0.0654 0.0230
0.2261000 0.0000000
1.0759000 0.0000000
0.0000000 0.1636000
0.0000000 0.1077000
P:PBS
(14.10.4)/[7.5.2] BASIS FROM SADLEJ
6
0 0 0 1 1 2
1 1 5 1 4 2
6 3 5 6 4 4
77492.43 11605.79 2645.96 754.98 248.75
91.157
0.0007870
0.0061090
0.0313680
0.1242910
0.3806820
0.5599890
91.157 36.226 15.211
0.1639970
0.6259270
0.2622110
4.7138 1.7827 0.3425 0.1246 0.0453
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
384.840 90.552 28.806 10.688 4.2521
1.7405
0.0003765
0.0290100
0.1229530
0.3064700
0.4413490
0.2958170
0.5979 0.2292 0.0838 0.0306
1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.5979 0.2292 0.0838 0.0306
0.3093000 0.0000000
0.9715000 0.0000000
0.0000000 0.1278000
0.0000000 0.0774000
S:PBS
(14.10.4)/[7.5.2] BASIS FROM SADLEJ
6
0 0 0 1 1 2
1 1 5 1 4 2
6 3 5 6 4 4
99413.4 13961.7 3169.9 902.46 297.16
108.702
0.0007420
0.0057900
0.0299410
0.1189750
0.3682900
0.5774890
108.702 43.155 18.108
0.1429320
0.6246490
0.2834000
5.5705 2.1427 0.4340 0.1570 0.0568
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
495.04 117.22 37.507 13.910 5.5045
2.2433
0.0031710
0.0246430
0.1078450
0.2884890
0.4881080
0.3205170
0.7762 0.2919 0.1029 0.0363
1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.7762 0.2919 0.1029 0.0363
0.2915000 0.0000000
0.8966000 0.0000000
0.0000000 0.1138000
0.0000000 0.0568000
CL:PBS
(14.10.4)/[7.5.2] BASIS FROM SADLEJ
6
0 0 0 1 1 2
1 1 5 1 4 2
6 3 5 6 4 4
105818.8 15872.0 3619.70 1030.80 339.910
124.538
0.0007430
0.0057540
0.0296740
0.1179910
0.3653190
0.5811460
124.538 49.514 20.806
0.1375430
0.6229200
0.2901060
6.4648 2.5254 0.5378 0.1935 0.0696
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
589.78 139.85 44.795 16.612 6.5995
2.7141
0.0029820
0.0233750
0.1039980
0.2844300
0.4506860
0.3230640
0.9528 0.3580 0.1250 0.0436
1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.9528 0.3580 0.1250 0.0436
0.2853000 0.0000000
0.8169000 0.0000000
0.0000000 0.1013000
0.0000000 0.0430000
LI:PBS
(10.6.4)/[5.3.2] POLARIZED BASIS FROM SADLEJ
3
0 1 2
5 3 2
10 6 4
1359.4466 204.02647 46.549541 13.232594 4.286148
1.495542 0.542238 0.073968 0.028095 0.0106710
0.0008440 0.0000000 0.0000000 0.0000000 0.0000000
0.0064860 0.0000000 0.0000000 0.0000000 0.0000000
0.0324770 0.0000000 0.0000000 0.0000000 0.0000000
0.1174200 0.0000000 0.0000000 0.0000000 0.0000000
0.2945800 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4495150 0.0000000 0.0000000 0.0000000
0.0000000 0.5422380 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
4.17 1.17256 0.32927 0.09271 0.02607
0.007331
0.0051120 0.0000000 0.0000000
0.0209070 0.0000000 0.0000000
0.0916720 0.0000000 0.0000000
0.4492600 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.32927 0.09271 0.02607 0.007331
0.1597570 0.0000000
1.4754840 0.0000000
0.0000000 0.3705780
0.0000000 0.0178470
BE:PBS
(10.6.4)/[5.3.2] POLARIZED BASIS FROM SADLEJ
4
0 0 1 2
1 4 3 2
5 5 6 4
2732.3281 410.31981 93.672648 26.587957 8.629560
0.0007450
0.0057220
0.0288800
0.1070760
0.2801010
3.056264 1.132424 0.181732 0.059170 0.019265
0.4454480 0.0000000 0.0000000 0.0000000
0.2802620 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
7.640 1.8636 0.45509 0.11107 0.027108
0.006616
0.0046300 0.0000000 0.0000000
0.0329610 0.0000000 0.0000000
0.1204040 0.0000000 0.0000000
0.3395230 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.45509 0.11107 0.027108 0.006616
0.1784800 0.0000000
1.0187600 0.0000000
0.0000000 0.4223640
0.0000000 0.0600330
NA:PBS
(14.10.4)/[7.5.2] POLARIZED BASIS FROM SADLEJ
6
0 0 0 1 1 2
1 1 5 1 4 2
6 3 5 6 4 4
36166.4 5372.58 1213.21 339.62 109.55
38.777
0.0010320
0.0080710
0.0421280
0.1697860
0.5146090
0.3798340
38.777 14.576 5.2699
0.3747630
0.5757710
0.1139280
1.8278 0.6199 0.0572 0.0240 0.0101
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
144.645 33.907 10.629 3.8239 1.4443
0.5526
0.0054570
0.0391380
0.1519240
0.3330980
0.4222840
0.2811970
0.1887 0.0465 0.0163 0.0057
1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.4443 0.5526 0.1887 0.0465
0.3513790 0.0000000
0.3782730 0.0000000
0.0000000 0.0111800
0.0000000 0.2787510
MG:PBS
(14.10.4)/[7.5.2] POLARIZED BASIS FROM SADLEJ
6
0 0 0 1 1 2
1 1 5 1 4 2
6 3 5 6 4 4
43886.5 6605.37 1513.26 432.317 142.149
51.398
0.0009180
0.0070470
0.0359410
0.1414610
0.4267630
0.4979760
51.398 19.920 8.0247
0.2513550
0.6186710
0.1884160
2.5082 0.8715 0.1082 0.0401 0.0149
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
193.854 45.442 14.186 5.0575 1.8886
0.7227
0.0048020
0.0355160
0.1448930
0.3381790
0.4411040
0.2608490
0.2364 0.0934 0.0348 0.0130
1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.8886 0.7227 0.2364 0.0934
0.3209750 0.0000000
0.3068390 0.0000000
0.0000000 0.0280440
0.0000000 0.1785540
K:PBS
(15.13.4)/[9.7.2] POLARIZED BASIS FROM SADLEJ
5
0 0 1 1 2
3 6 2 5 2
9 6 8 5 4
151351.9 22745.91 5227.166 1500.188 495.4703
180.9008 71.21769 29.38428 8.699243
0.0002585 0.0000745 -0.0000245
0.0019920 0.0005698 -0.0001882
0.0101469 0.0029599 -0.0009718
0.0403666 0.0117604 -0.0039039
0.1273002 0.0400206 -0.0131897
0.2985825 0.1023769 -0.0347707
0.4185002 0.2050881 -0.0700552
0.2370813 0.1351508 -0.0525456
0.0202067 -0.5025714 0.2420632
3.473304 0.814562 0.318915 0.035484 0.016390
0.007570
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
868.3903 205.5765 65.9123 24.59863 9.882281
4.116751 1.556004 0.612188
0.0023351 0.0001788
0.0187544 0.0057641
0.0865586 0.0274699
0.2502799 0.0813920
0.4300397 0.1513598
0.3511437 0.1082711
0.0664197 -0.2619370
-0.0512530 -0.5840310
0.223053 0.08126 0.02961 0.01079 0.00393
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
0.61219 0.22305 0.02961 0.01079
0.5723700 0.0000000
0.6652800 0.0000000
0.0000000 0.3765800
0.0000000 0.3729500
CA:PBS
(15.13.4)/[9.7.2] POLARIZED BASIS FROM SADLEJ
5
0 0 1 1 2
3 6 2 5 2
9 6 8 5 4
171297.15 25997.43 5996.480 1714.730 563.6532
204.9460 80.45147 33.14092 9.879146
0.0002510 -0.0000731 0.0000251
0.0019090 -0.0005518 0.0001906
0.0097392 -0.0028696 0.0009853
0.0391060 -0.0115111 0.0039962
0.1244994 -0.0394741 0.0136087
0.2952087 -0.1021232 0.0362825
0.4195611 -0.2061724 0.0737642
0.2427536 -0.1414723 0.0575850
0.0215154 0.4959007 -0.2526893
3.994670 0.985343 0.411616 0.065605 0.026740
0.010620
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
1003.027 237.8239 76.56948 28.73768 11.63688
4.903208 1.923370 0.780058
0.0022207 -0.0007275
0.0178648 -0.0058537
0.0827314 -0.0279479
0.2419521 -0.0840570
0.4242078 -0.1590285
0.3585782 -0.1215982
0.0750382 0.2485835
0.0045102 0.5954336
0.293764 0.11063 0.04166 0.01569 0.00591
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
0.78006 0.29376 0.04166 0.01569
0.5187000 0.0000000
0.5658700 0.0000000
0.0000000 0.3333500
0.0000000 0.1408900
RB:PBS
(18.15.10)/[11.9.4] POLARIZED BASIS FROM SADLEJ
6
0 0 1 1 2 2
4 7 3 6 2 2
11 7 9 6 6 4
432918.4 65814.05 15362.04 4506.950 1533.262
581.0960 240.2168 106.1112 40.82235 18.69521
7.850894
0.0003702 -0.0001170 0.0000474 0.0000160
0.0027958 -0.0008825 0.0003577 0.0001208
0.0138520 -0.0044259 0.0017934 0.0006053
0.0525392 -0.0170923 0.0069599 0.0023542
0.1548470 -0.0542487 0.0222237 0.0075095
0.3266449 -0.1318217 0.0553560 0.0188356
0.3942463 -0.2270311 0.0991963 0.0337959
0.1884079 -0.1210690 0.0590832 0.0208811
0.0169109 0.4500893 -0.2849879 -0.1045566
-0.0027738 0.6067418 -0.5616608 -0.2150989
0.0015422 0.1309709 0.0689380 0.0261794
3.946150 1.844039 0.0692172 0.276767 0.038890
0.019632 0.009910
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
3772.360 896.8498 291.1774 111.1665 46.59779
20.61947 8.545803 3.727807 1.626088
0.0022490 -0.0009326 -0.0002799
0.0184178 -0.0076486 -0.0022837
0.0870550 -0.0375836 -0.0113521
0.2573574 -0.1157393 -0.0348942
0.4345148 -0.2156986 -0.0669017
0.3247940 -0.1012843 -0.0258668
0.0629600 0.3833983 0.1441241
-0.0030106 0.5723888 0.2591167
0.0022704 0.1849965 -0.0224242
0.608154 0.211257 0.073385 0.025492 0.008855
0.003080
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
132.3326 38.80142 14.10538 5.536616 2.239668
0.859432
0.0195685 0.0000000
0.1189378 0.0000000
0.3295870 0.0000000
0.4546232 0.0000000
0.0000000 0.2973777
0.0000000 0.0591820
0.60815 0.21126 0.02549 0.00886
0.0803100 0.0000000
0.1031300 0.0000000
0.0000000 0.4448800
0.0000000 0.3769800
SR:PBS
(18.15.10)/[11.9.4] POLARIZED BASIS FROM SADLEJ
6
0 0 1 1 2 2
4 7 3 6 2 2
11 7 9 6 6 4
447503.8 68033.85 15907.65 4680.181 1596.108
605.0268 249.6655 110.2371 42.34581 19.32749
7.943752
0.0003798 -0.0001203 -0.0000491 0.0000174
0.0028661 -0.0009069 -0.0003708 0.0001318
0.0141474 -0.0045334 -0.0018536 0.0006578
0.0533898 -0.0174169 -0.0071557 0.0025467
0.1567703 -0.0551668 -0.0228119 0.0081037
0.3300455 -0.1339385 -0.0567806 0.0203430
0.3942621 -0.2298919 -0.1015780 0.0363698
0.1828827 -0.1140530 -0.0563682 0.0211538
0.0156887 0.4696420 0.3036405 -0.1180747
-0.0026167 0.5982430 0.5673199 0.2289793
0.0014832 0.1203188 -0.1357764 0.0548220
3.997927 1.933314 0.716335 0.305817 0.054875
0.022944 0.009593
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
3942.235 935.3613 303.6026 115.8908 48.56029
21.49991 8.946984 3.869650 1.617732
0.0023006 0.0009647 -0.0003111
0.0188799 0.0079381 -0.0025477
0.0890580 0.0389159 -0.0126331
0.2622162 0.1196339 -0.0388058
0.4375272 0.2200890 -0.0734370
0.3176983 0.0948126 -0.0252119
0.0589489 -0.4042590 0.1658146
-0.0025145 -0.5806063 0.2875260
0.0019810 -0.1588206 -0.0807917
0.641983 0.238495 0.088767 0.033039 0.012297
0.004577
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
137.7742 40.44428 14.68809 5.752129 2.324955
0.889111
0.0208295 0.0000000
0.1258918 0.0000000
0.3443574 0.0000000
0.4614710 0.0000000
0.0000000 0.2762676
0.0000000 0.0443842
0.64198 0.23850 0.03304 0.01230
0.8349200 0.0000000
0.8083100 0.0000000
0.0000000 0.3940000
0.0000000 0.1110900
BR:PBS
(15.12.9.4)/[9.7.4.2.2] POLARIZED BASIS FROM SADLEJ
7
0 0 1 1 2 2 3
4 5 3 4 2 2 2
10 5 8 4 5 4 4
379677.70 56125.180 12967.35 3836.082 1331.996
508.0421 207.7812 90.42185 33.00437 14.35639
0.0003842 -0.0001208 0.0000480 -0.0000147
0.0030003 -0.0009411 0.0003749 -0.0001147
0.0148907 -0.0047442 0.0018827 -0.0005766
0.0547746 -0.0177026 0.0070977 -0.0021735
0.1567715 -0.0549918 0.0220139 -0.0067547
0.3328099 -0.1333894 0.0553369 -0.0170164
0.3985678 -0.2345111 0.0995058 -0.0308665
0.1765368 -0.0972103 0.0498142 -0.0156180
0.0124906 0.5425917 -0.3574409 0.1175750
-0.0017219 0.5718584 -0.5171876 0.1828625
4.728525 2.032967 0.412706 0.156142 0.059074
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
3167.91 762.5044 249.3963 95.23177 39.923010
17.78166 7.677264 3.342064
0.0024643 -0.0009940 0.0002588
0.0195907 -0.0079501 0.0020438
0.0911694 -0.0382891 0.0100386
0.2656020 -0.1169117 0.0302452
0.4355430 -0.2090161 0.0565897
0.3117761 -0.0968376 0.0195855
0.0602091 0.3512283 -0.1056535
-0.0019929 0.5698537 -0.2254965
1.442422 0.44232 0.137772 0.042913
1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
96.150010 27.839080 9.851067 3.610187 1.251544
0.0265128 0.0000000
0.1500642 0.0000000
0.3804896 0.0000000
0.0000000 0.4802772
0.0000000 0.2478854
1.442400 0.442300 0.137800 0.042900
0.0039500 0.0000000
0.8038800 0.0000000
0.0000000 0.1348000
0.0000000 0.0623100
27.839100 9.851070 3.610190 1.251540
0.0284410 0.0000000
0.1212280 0.0000000
0.0000000 0.2527710
0.0000000 0.2215790
I:PBS
(19.15.12.4)/[11.9.6.2] POLARIZED BASIS FROM SADLEJ
10
0 0 1 1 2 2 2 2 3 3
5 6 4 5 2 2 1 1 1 1
13 6 10 5 4 4 2 2 2 2
1024924.8 154843.13 35646.336 10272.630 3434.4769
1284.4313 525.64189 230.74127 87.255217 39.494464
14.254520 7.6466089 3.0500598
-0.0003112 0.0001012 -0.0000451 -0.0000203 0.0000069
-0.0023822 0.0007736 -0.0003451 -0.0001556 0.0000529
-0.0121028 0.0039784 -0.0017715 -0.0007992 0.0002719
-0.0473906 0.0158201 -0.0070961 -0.0032017 0.0010883
-0.1443574 0.0517979 -0.0233084 -0.0105449 0.0035900
-0.3164481 0.1298812 -0.0602625 -0.0273582 0.0093065
-0.4018988 0.2340313 -0.1124651 -0.0516988 0.0176738
-0.2058581 0.1378589 -0.0761724 -0.0355751 0.0121096
-0.0195178 -0.4704590 0.3515680 0.1753485 -0.0605902
0.0035105 -0.6244144 0.6449758 0.3578347 -0.1275278
-0.0021503 -0.1186834 -0.4140994 -0.3285772 0.1280144
0.0019077 0.0377119 -0.8084290 -0.9202006 0.3725377
-0.0017174 -0.0247635 -0.1559773 0.2478261 -0.1394091
1.7326181 0.8768236 0.6349930 0.2564976 0.1061169
0.0439022
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
7299.0410 1767.8671 590.09433 231.49387 101.73176
47.569119 22.275404 10.840897 5.2379498 2.5466334
0.0026316 0.0012293 0.0005366 0.0001599
0.0204925 0.0096738 0.0042285 0.0012612
0.0932057 0.0455881 0.0200867 0.0059946
0.2616339 0.1356119 0.0603974 0.0180769
0.4158847 0.2345662 0.1067446 0.0320064
0.3128182 0.1201292 0.0467467 0.0137283
0.0714857 -0.3495375 -0.2201150 -0.0700630
0.0010960 -0.5837640 -0.4207903 -0.1360543
0.0006345 -0.2062012 0.0628580 0.0381252
-0.0003811 -0.8572306 0.6434501 0.2700960
1.2106848 0.5744092 0.2465331 0.0913532 0.0338511
1.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
370.37639 109.71047 41.199216 17.284607
0.0160789 0.0066648
0.1091329 0.0461780
0.3277467 0.1405037
0.4658406 0.1865116
7.8154415 3.7428153 1.6595878 0.6526591
0.2640157 0.0108920
0.0438970 0.3827473
0.0030830 0.5259328
-0.0004230 0.2222319
0.574409 0.246533
0.2480650
1.0729530
0.091353 0.033851
0.1366340
0.0543600
7.815442 3.742815
0.0038960
0.1978390
1.659588 0.652659
0.4082540
0.2750830
SE:641d
(14.11.6)/[6.4.2] contracted Dunning basis (JCC 1990,10,1206)
8
0 0 0 1 1 1 2 2
1 2 3 1 1 2 1 1
8 3 3 6 3 2 5 1
560600.0 84010.00 19030.00 5419.000 1792.000
659.5000 262.0000 108.6000
0.0002200
0.0017000
0.0088300
0.0350800
0.1126600
0.2847100
0.4334800
0.3114000
33.66000 14.45000 4.378000
0.4682300 0.0000000
1.0926100 0.0000000
0.0000000 1.0000000
1.876000 0.359200 0.136700
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
4114.000 980.4000 310.7000 114.2000 46.26000
19.87000
0.0011700
0.0098500
0.0517700
0.1786900
0.3250400
0.3608900
8.309000 3.598000 1.522000
0.2148800 0.0000000 0.0000000
0.3962900 0.0000000 0.0000000
0.2250800 0.0000000 0.0000000
0.403200 0.123100
1.0000000 0.0000000
0.0000000 1.0000000
94.03000 26.79000 9.336000 3.383000 1.1450000
0.0206300 0.0000000
0.1222700 0.0000000
0.3197200 0.0000000
0.4173800 0.0000000
0.2318400 0.0000000
0.315000
1.0000000
SE:641d+
(14.11.6)/[6.4.2] Dunning basis (JCC 1990,10,1206) +sp(diffuse)
9
0 0 0 0 1 1 1 2 2
1 2 3 1 1 1 3 1 1
8 3 3 1 6 3 3 5 1
560600.0 84010.00 19030.00 5419.000 1792.000
659.5000 262.0000 108.6000
0.0002200
0.0017000
0.0088300
0.0350800
0.1126600
0.2847100
0.4334800
0.3114000
33.66000 14.45000 4.378000
0.4682300 0.0000000
1.0926100 0.0000000
0.0000000 1.0000000
1.876000 0.359200 0.136700
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.022000
1.0000000
4114.000 980.4000 310.7000 114.2000 46.26000
19.87000
0.0011700
0.0098500
0.0517700
0.1786900
0.3250400
0.3608900
8.309000 3.598000 1.522000
0.2148800 0.0000000 0.0000000
0.3962900 0.0000000 0.0000000
0.2250800 0.0000000 0.0000000
0.403200 0.123100 0.022000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
94.03000 26.79000 9.336000 3.383000 1.1450000
0.0206300 0.0000000
0.1222700 0.0000000
0.3197200 0.0000000
0.4173800 0.0000000
0.2318400 0.0000000
0.315000
1.0000000
SE:962d
(14.11.6)/[9.6.3] contracted Dunning basis (JCC 1990,10,1206)
9
0 0 0 0 1 1 1 2 2
1 2 3 3 1 3 2 2 1
6 2 3 3 6 3 2 5 1
560600.0 84010.00 19030.00 5419.000 1792.000
659.5000
0.0002200
0.0017000
0.0088300
0.0350800
0.1126600
0.2847100
262.0000 108.6000
0.4334800 0.0000000
0.0000000 0.3114000
33.66000 14.45000 4.378000
0.4682300 0.0000000 0.0000000
0.0000000 1.0926100 0.0000000
0.0000000 0.0000000 1.0000000
1.876000 0.359200 0.136700
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
4114.000 980.4000 310.7000 114.2000 46.26000
19.87000
0.0011700
0.0098500
0.0517700
0.1786900
0.3250400
0.3608900
8.309000 3.598000 1.522000
0.2148800 0.0000000 0.0000000
0.0000000 0.3962900 0.0000000
0.0000000 0.0000000 0.2250800
0.403200 0.123100
1.0000000 0.0000000
0.0000000 1.0000000
94.03000 26.79000 9.336000 3.383000 1.1450000
0.0206300 0.0000000
0.1222700 0.0000000
0.3197200 0.0000000
0.4173800 0.0000000
0.0000000 0.2318400
0.315000
1.0000000
SE:962d+
(14.11.6)/[9.6.3] contracted Dunning (JCC 1990,10,1206) + sp(diff)
10
0 0 0 0 0 1 1 1 2 2
1 2 3 3 1 1 3 3 2 1
6 2 3 3 1 6 3 3 5 1
560600.0 84010.00 19030.00 5419.000 1792.000
659.5000
0.0002200
0.0017000
0.0088300
0.0350800
0.1126600
0.2847100
262.0000 108.6000
0.4334800 0.0000000
0.0000000 0.3114000
33.66000 14.45000 4.378000
0.4682300 0.0000000 0.0000000
0.0000000 1.0926100 0.0000000
0.0000000 0.0000000 1.0000000
1.876000 0.359200 0.136700
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.022000
1.0000000
4114.000 980.4000 310.7000 114.2000 46.26000
19.87000
0.0011700
0.0098500
0.0517700
0.1786900
0.3250400
0.3608900
8.309000 3.598000 1.522000
0.2148800 0.0000000 0.0000000
0.0000000 0.3962900 0.0000000
0.0000000 0.0000000 0.2250800
0.403200 0.123100 0.022000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
94.03000 26.79000 9.336000 3.383000 1.1450000
0.0206300 0.0000000
0.1222700 0.0000000
0.3197200 0.0000000
0.4173800 0.0000000
0.0000000 0.2318400
0.315000
1.0000000
SE:962fd
(14.11.6.1)/[9.6.3.1] contracted Dunning basis (JCC 1990,10,1206)
10
0 0 0 0 1 1 1 2 2 3
1 2 3 3 1 3 2 2 1 1
6 2 3 3 6 3 2 5 1 1
560600.0 84010.00 19030.00 5419.000 1792.000
659.5000
0.0002200
0.0017000
0.0088300
0.0350800
0.1126600
0.2847100
262.0000 108.6000
0.4334800 0.0000000
0.0000000 0.3114000
33.66000 14.45000 4.378000
0.4682300 0.0000000 0.0000000
0.0000000 1.0926100 0.0000000
0.0000000 0.0000000 1.0000000
1.876000 0.359200 0.136700
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
4114.000 980.4000 310.7000 114.2000 46.26000
19.87000
0.0011700
0.0098500
0.0517700
0.1786900
0.3250400
0.3608900
8.309000 3.598000 1.522000
0.2148800 0.0000000 0.0000000
0.0000000 0.3962900 0.0000000
0.0000000 0.0000000 0.2250800
0.403200 0.123100
1.0000000 0.0000000
0.0000000 1.0000000
94.03000 26.79000 9.336000 3.383000 1.1450000
0.0206300 0.0000000
0.1222700 0.0000000
0.3197200 0.0000000
0.4173800 0.0000000
0.0000000 0.2318400
0.315000
1.0000000
0.400000
1.0000000
SE:962fd+
(14.11.6.1)/[9.6.3.1] contracted Dunning (JCC 1990,10,1206) + sp diff.
11
0 0 0 0 0 1 1 1 2 2 3
1 2 3 3 1 1 3 3 2 1 1
6 2 3 3 1 6 3 3 5 1 1
560600.0 84010.00 19030.00 5419.000 1792.000
659.5000
0.0002200
0.0017000
0.0088300
0.0350800
0.1126600
0.2847100
262.0000 108.6000
0.4334800 0.0000000
0.0000000 0.3114000
33.66000 14.45000 4.378000
0.4682300 0.0000000 0.0000000
0.0000000 1.0926100 0.0000000
0.0000000 0.0000000 1.0000000
1.876000 0.359200 0.136700
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.022000
1.0000000
4114.000 980.4000 310.7000 114.2000 46.26000
19.87000
0.0011700
0.0098500
0.0517700
0.1786900
0.3250400
0.3608900
8.309000 3.598000 1.522000
0.2148800 0.0000000 0.0000000
0.0000000 0.3962900 0.0000000
0.0000000 0.0000000 0.2250800
0.403200 0.123100 0.022000
1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
94.03000 26.79000 9.336000 3.383000 1.1450000
0.0206300 0.0000000
0.1222700 0.0000000
0.3197200 0.0000000
0.4173800 0.0000000
0.0000000 0.2318400
0.315000
1.0000000
0.400000
1.0000000
H:TZP
JG DUNNING [5S3P] set with one p exponent
2
0 1
3 1
5 1
74.6900000 11.2300000 2.5460000 0.7130000 0.2249000
0.0253740 0.0000000 0.0000000
0.1896840 0.0000000 0.0000000
0.8529330 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.7500000
1.0000000
C:TZP
JG DUNNING [5S3P] set with one d exponent
3
0 1 2
5 3 1
11 6 1
9471.0000000 1398.0000000 307.5000000 84.5400000 26.9100000
9.4090000 9.4090000 3.5000000 1.0680000 0.4002000
0.1351000
0.0007760 0.0000000 0.0000000 0.0000000 0.0000000
0.0062180 0.0000000 0.0000000 0.0000000 0.0000000
0.0335750 0.0000000 0.0000000 0.0000000 0.0000000
0.1342780 0.0000000 0.0000000 0.0000000 0.0000000
0.3936680 0.0000000 0.0000000 0.0000000 0.0000000
0.5441690 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2480750 0.0000000 0.0000000 0.0000000
0.0000000 0.7828440 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
25.3700000 5.7760000 1.7870000 0.6577000 0.2480000
0.0910600
0.0162950 0.0000000 0.0000000
0.1020980 0.0000000 0.0000000
0.3402280 0.0000000 0.0000000
0.6682690 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.6540000
1.0000000
C:TZP+
JG DUNNING [5S3P] set with one d exponent + sp(diff)
3
0 1 2
6 4 1
12 7 1
9471.0000000 1398.0000000 307.5000000 84.5400000 26.9100000
9.4090000 9.4090000 3.5000000 1.0680000 0.4002000
0.1351000 0.0450000
0.0007760 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0062180 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0335750 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1342780 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3936680 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5441690 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2480750 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.7828440 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
25.3700000 5.7760000 1.7870000 0.6577000 0.2480000
0.0910600 0.0304000
0.0162950 0.0000000 0.0000000 0.0000000
0.1020980 0.0000000 0.0000000 0.0000000
0.3402280 0.0000000 0.0000000 0.0000000
0.6682690 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.6540000
1.0000000
B:TZP
JG DUNNING [5S3P] set with one d exponent
3
0 1 2
5 3 1
11 6 1
6250.0000000 916.1000000 202.2000000 55.8300000 17.8600000
6.2530000 6.2530000 2.3120000 0.6824000 0.2604000
0.0894000
0.0007980 0.0000000 0.0000000 0.0000000 0.0000000
0.0064100 0.0000000 0.0000000 0.0000000 0.0000000
0.0342990 0.0000000 0.0000000 0.0000000 0.0000000
0.1354870 0.0000000 0.0000000 0.0000000 0.0000000
0.3885320 0.0000000 0.0000000 0.0000000 0.0000000
0.5477580 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2326430 0.0000000 0.0000000 0.0000000
0.0000000 0.7972190 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
15.4600000 3.4830000 1.0660000 0.3928000 0.1503000
0.0572200
0.0168220 0.0000000 0.0000000
0.1008780 0.0000000 0.0000000
0.3368950 0.0000000 0.0000000
0.6723170 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.3860000
1.0000000
N:TZP
JG DUNNING [5S3P] set with one d exponents
3
0 1 2
5 3 1
11 6 1
13520.0000000 1999.0000000 440.0000000 120.9000000 38.4700000
13.4600000 13.4600000 4.9930000 1.5690000 0.5800000
0.1923000
0.0007600 0.0000000 0.0000000 0.0000000 0.0000000
0.0060760 0.0000000 0.0000000 0.0000000 0.0000000
0.0328470 0.0000000 0.0000000 0.0000000 0.0000000
0.1323960 0.0000000 0.0000000 0.0000000 0.0000000
0.3932610 0.0000000 0.0000000 0.0000000 0.0000000
0.5463390 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2520360 0.0000000 0.0000000 0.0000000
0.0000000 0.7793850 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
35.9100000 8.4800000 2.7060000 0.9921000 0.3727000
0.1346000
0.0169160 0.0000000 0.0000000
0.1022000 0.0000000 0.0000000
0.3381340 0.0000000 0.0000000
0.6692810 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.8000000
1.0000000
O:TZP
JG Dunning [5S3P] set with one d exponent
3
0 1 2
5 3 1
11 6 1
18050.0000000 2660.0000000 585.7000000 160.9000000 51.1600000
17.9000000 17.9000000 6.6390000 2.0770000 0.7736000
0.2558000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000
0.0060660 0.0000000 0.0000000 0.0000000 0.0000000
0.0327820 0.0000000 0.0000000 0.0000000 0.0000000
0.1326090 0.0000000 0.0000000 0.0000000 0.0000000
0.3968390 0.0000000 0.0000000 0.0000000 0.0000000
0.5425720 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2624900 0.0000000 0.0000000 0.0000000
0.0000000 0.7698280 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
49.8300000 11.4900000 3.6090000 1.3210000 0.4821000
0.1651000
0.0163580 0.0000000 0.0000000
0.1064530 0.0000000 0.0000000
0.3493020 0.0000000 0.0000000
0.6571830 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.8500000
1.0000000
O:TZP+
JG Dunning [5S3P] set with one d exponent +sp(diff)
3
0 1 2
6 4 1
12 7 1
18050.0000000 2660.0000000 585.7000000 160.9000000 51.1600000
17.9000000 17.9000000 6.6390000 2.0770000 0.7736000
0.2558000 0.0853000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0060660 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0327820 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1326090 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3968390 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5425720 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2624900 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.7698280 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
49.8300000 11.4900000 3.6090000 1.3210000 0.4821000
0.1651000 0.0550000
0.0163580 0.0000000 0.0000000 0.0000000
0.1064530 0.0000000 0.0000000 0.0000000
0.3493020 0.0000000 0.0000000 0.0000000
0.6571830 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
0.8500000
1.0000000
F:TZP
JG DUNNING [5S3P] set with one d exponent
3
0 1 2
5 3 1
11 6 1
23340.0000000 3431.0000000 757.7000000 209.2000000 66.7000000
23.3700000 23.3700000 8.6240000 2.6920000 1.0090000
0.3312000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000
0.0060810 0.0000000 0.0000000 0.0000000 0.0000000
0.0326360 0.0000000 0.0000000 0.0000000 0.0000000
0.1317040 0.0000000 0.0000000 0.0000000 0.0000000
0.3962400 0.0000000 0.0000000 0.0000000 0.0000000
0.5436720 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2648930 0.0000000 0.0000000 0.0000000
0.0000000 0.7679250 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
65.6600000 15.2200000 4.7880000 1.7320000 0.6206000
0.2070000
0.0160370 0.0000000 0.0000000
0.1056970 0.0000000 0.0000000
0.3502270 0.0000000 0.0000000
0.6581950 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.0000000
1.0000000
SI:TZP
(12s8p/6s5p) [MC JCP 1980,72,5639]
7
0 0 0 0 1 1 2
1 1 2 2 2 3 1
6 3 2 2 6 3 1
69379.2300000 10354.9400000 2333.8800000 657.1400000 214.3000000
77.6290000000
.0007570 .0000000 .0000000 .0000000 .0000000 .0000000
.0059320 .0000000 .0000000 .0000000 .0000000 .0000000
.0310880 .0000000 .0000000 .0000000 .0000000 .0000000
.1249670 .0000000 .0000000 .0000000 .0000000 .0000000
.3868970 .0000000 .0000000 .0000000 .0000000 .0000000
.5548880 .0000000 .0000000 .0000000 .0000000 .0000000
77.6290000 30.6310000 12.8010000
.1778810 .0000000 .0000000 .0000000 .0000000
.6277650 .0000000 .0000000 .0000000 .0000000
.2476230 .0000000 .0000000 .0000000 .0000000
3.926900 1.4523000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.2562000 .0943000
1.0000000
.0000000 1.0000000
335.4800000 78.90000000 24.9880000 9.21970000 3.6211000
1.451300000
.0088660 .0000000 .0000000 .0000000 .0000000
.0682990 .0000000 .0000000 .0000000 .0000000
.2909580 .0000000 .0000000 .0000000 .0000000
.7321160 .0000000 .0000000 .0000000 .0000000
.0000000 .6198790 .0000000 .0000000 .0000000
.0000000 .4391480 .0000000 .0000000 .0000000
0.5050000 .1863000 .06540000
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000
.4000000
1.0000000
SI:TZ
(12s8p/6s5p) [MC JCP 1980,72,5639]
6
0 0 0 0 1 1
1 1 2 2 2 3
6 3 2 2 6 3
69379.2300000 10354.9400000 2333.8800000 657.1400000 214.3000000
77.6290000000
.0007570 .0000000 .0000000 .0000000 .0000000 .0000000
.0059320 .0000000 .0000000 .0000000 .0000000 .0000000
.0310880 .0000000 .0000000 .0000000 .0000000 .0000000
.1249670 .0000000 .0000000 .0000000 .0000000 .0000000
.3868970 .0000000 .0000000 .0000000 .0000000 .0000000
.5548880 .0000000 .0000000 .0000000 .0000000 .0000000
77.6290000 30.6310000 12.8010000
.1778810 .0000000 .0000000 .0000000 .0000000
.6277650 .0000000 .0000000 .0000000 .0000000
.2476230 .0000000 .0000000 .0000000 .0000000
3.926900 1.4523000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.2562000 .0943000
1.0000000
.0000000 1.0000000
335.4800000 78.90000000 24.9880000 9.21970000 3.6211000
1.451300000
.0088660 .0000000 .0000000 .0000000 .0000000
.0682990 .0000000 .0000000 .0000000 .0000000
.2909580 .0000000 .0000000 .0000000 .0000000
.7321160 .0000000 .0000000 .0000000 .0000000
.0000000 .6198790 .0000000 .0000000 .0000000
.0000000 .4391480 .0000000 .0000000 .0000000
0.5050000 .1863000 .06540000
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.0000000 .0000000 1.0000000 .0000000
P:TZP
(12s8p/6s5p), McLean Chandler JCP 1980,72,5639
8
0 0 0 0 1 1 1 2
1 1 2 2 1 2 2 1
6 3 2 2 5 3 2 1
77492.4300000 11605.7900000 2645.9600000 754.9800000 248.7500000
91.1570000000
.0007870 .0000000 .0000000 .0000000 .0000000 .0000000
.0061070 .0000000 .0000000 .0000000 .0000000 .0000000
.0313730 .0000000 .0000000 .0000000 .0000000 .0000000
.1242390 .0000000 .0000000 .0000000 .0000000 .0000000
.3808930 .0000000 .0000000 .0000000 .0000000 .0000000
.5598120 .0000000 .0000000 .0000000 .0000000 .0000000
91.15700000 36.2260000 15.2110000
.1639860 .0000000 .0000000 .0000000 .0000000
.6259500 .0000000 .0000000 .0000000 .0000000
.2621960 .0000000 .0000000 .0000000 .0000000
4.7138000 1.7827000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3425000 .1246000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
384.8400000 90.55200000 28.8060000 10.6880000 4.2521000
.0032400 .0000000 .0000000 .0000000 .0000000
.0249250 .0000000 .0000000 .0000000 .0000000
.1056970 .0000000 .0000000 .0000000 .0000000
.2632290 .0000000 .0000000 .0000000 .0000000
.7190530 .0000000 .0000000 .0000000 .0000000
4.2521000 1.740500 .59790000
-1.6127390 .0000000 .0000000 .0000000
1.2050830 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2292000 .0838000
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.4500000
1.0000000
P:TZ
(12s9p/6s5p), McLean Chandler JCP 1980,72,5639
7
0 0 0 0 1 1 1
1 1 2 2 1 2 2
6 3 2 2 5 3 2
77492.4300000 11605.7900000 2645.9600000 754.9800000 248.7500000
91.1570000000
.0007870 .0000000 .0000000 .0000000 .0000000 .0000000
.0061070 .0000000 .0000000 .0000000 .0000000 .0000000
.0313730 .0000000 .0000000 .0000000 .0000000 .0000000
.1242390 .0000000 .0000000 .0000000 .0000000 .0000000
.3808930 .0000000 .0000000 .0000000 .0000000 .0000000
.5598120 .0000000 .0000000 .0000000 .0000000 .0000000
91.15700000 36.2260000 15.2110000
.1639860 .0000000 .0000000 .0000000 .0000000
.6259500 .0000000 .0000000 .0000000 .0000000
.2621960 .0000000 .0000000 .0000000 .0000000
4.7138000 1.7827000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3425000 .1246000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
384.8400000 90.55200000 28.8060000 10.6880000 4.2521000
.0032400 .0000000 .0000000 .0000000 .0000000
.0249250 .0000000 .0000000 .0000000 .0000000
.1056970 .0000000 .0000000 .0000000 .0000000
.2632290 .0000000 .0000000 .0000000 .0000000
.7190530 .0000000 .0000000 .0000000 .0000000
4.2521000 1.740500 .59790000
-1.6127390 .0000000 .0000000 .0000000
1.2050830 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2292000 .0838000
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
O:II-IGLO
Huzinaga 9s/5s (51111) 5p/4p (2111) +1d (1.0)
3
0 1 2
5 4 1
9 5 1
8046.1590000 1211.9849000 279.5249100 80.9329960 26.9342700
9.8393320 3.8340374 .95681143 .28899604
0.0011346 0.0000000 0.0000000 0.0000000 0.0000000
0.0086365 0.0000000 0.0000000 0.0000000 0.0000000
0.0422979 0.0000000 0.0000000 0.0000000 0.0000000
0.1476031 0.0000000 0.0000000 0.0000000 0.0000000
0.3514764 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
34.9066140 7.8465639 2.3049855 .72205670 .21525878
0.0156177 0.0000000 0.0000000 0.0000000
0.9828103 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000
1.0000000
1.0000000
CL:TZP
(12s9p/6s5p), McLean Chandler JCP 1980,72,5639
5
0 0 1 1 2
1 5 1 4 1
6 7 5 5 1
105818.8000000 15872.00000 3619.70000 1030.800000 339.910000
124.5380000
0.0007430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0057530 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0296760 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1180100 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3652300 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.5812210 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
124.5380000 49.5140000 20.8060000 6.46480000 2.52540000
0.5378000 0.1935000
0.1375480 0.0000000 0.0000000 0.0000000 0.0000000
0.6228810 0.0000000 0.0000000 0.0000000 0.0000000
0.2901430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
589.7800000000 139.8500000 44.7950000 16.61200000 6.59950000
0.0027600 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0215360 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0959160 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.2623150 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.7268110 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
6.599500000 2.7141000 0.9528000 0.35800000 0.12500000
-1.5649240 0.0000000 0.0000000 0.0000000 0.0000000
1.4957780 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.6500000
1.0000000
V:3-21G
3-21G basis, Dobbs, Hehre, JCC 1987,8,861
5
0 0 1 1 2
2 3 2 2 2
6 6 6 3 3
2563.877 387.5340 84.59823 109.7938 23.76921
7.122961
0.0639475 0.0000000
0.3775940 0.0000000
0.6805421 0.0000000
0.0000000 -.1098355
0.0000000 0.1007070
0.0000000 0.9556327
6.981204 2.219839 0.719803 0.631262 .08006166
.02886489
-.2884588 0.0000000 0.0000000
0.3364357 0.0000000 0.0000000
0.8481903 0.0000000 0.0000000
0.0000000 -.2364899 0.0000000
0.0000000 1.0977210 0.0000000
0.0000000 0.0000000 1.0000000
109.7938 23.76921 7.122961 6.981204 2.219839
0.719803
0.1384210 0.0000000
0.5504894 0.0000000
0.4824165 0.0000000
0.0000000 .02182075
0.0000000 0.4567616
0.0000000 0.6186750
0.631262 .08006166 .02886489
.00018995 0.0000000
0.9999396 0.0000000
0.0000000 1.0000000
8.342917 2.032944 0.4957115
0.2640620 0.0000000
0.8539665 0.0000000
0.0000000 1.0000000
P:TZ2PJB
JB (12s9p)/[6s5p] (McL,Ch) plus two d exponents (JCP 83, 5721 (1985))
8
0 0 0 0 1 1 1 2
1 1 2 2 1 2 2 2
6 3 2 2 5 3 2 2
77492.4300000 11605.7900000 2645.9600000 754.9800000 248.7500000
91.1570000000
.0007870 .0000000 .0000000 .0000000 .0000000 .0000000
.0061070 .0000000 .0000000 .0000000 .0000000 .0000000
.0313730 .0000000 .0000000 .0000000 .0000000 .0000000
.1242390 .0000000 .0000000 .0000000 .0000000 .0000000
.3808930 .0000000 .0000000 .0000000 .0000000 .0000000
.5598120 .0000000 .0000000 .0000000 .0000000 .0000000
91.15700000 36.2260000 15.2110000
.1639860 .0000000 .0000000 .0000000 .0000000
.6259500 .0000000 .0000000 .0000000 .0000000
.2621960 .0000000 .0000000 .0000000 .0000000
4.7138000 1.7827000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3425000 .1246000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
384.8400000 90.55200000 28.8060000 10.6880000 4.2521000
.0032400 .0000000 .0000000 .0000000 .0000000
.0249250 .0000000 .0000000 .0000000 .0000000
.1056970 .0000000 .0000000 .0000000 .0000000
.2632290 .0000000 .0000000 .0000000 .0000000
.7190530 .0000000 .0000000 .0000000 .0000000
4.2521000 1.740500 .59790000
-1.6127390 .0000000 .0000000 .0000000
1.2050830 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2292000 .0838000
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
0.5500000 2.0000000
1.0000000 0.0000000
0.0000000 1.0000000
F:TZ2PJB
JB DUNNING [5S3P] set with two d exponents
3
0 1 2
5 3 2
11 6 2
23340.0000000 3431.0000000 757.7000000 209.2000000 66.7300000
23.3700000 23.3700000 8.6240000 2.6920000 1.0090000
0.3312000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000
0.0060810 0.0000000 0.0000000 0.0000000 0.0000000
0.0326360 0.0000000 0.0000000 0.0000000 0.0000000
0.1317040 0.0000000 0.0000000 0.0000000 0.0000000
0.3962400 0.0000000 0.0000000 0.0000000 0.0000000
0.5436720 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2648930 0.0000000 0.0000000 0.0000000
0.0000000 0.7679250 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
65.6600000 15.2200000 4.7880000 1.7320000 0.6206000
0.2070000
0.0160370 0.0000000 0.0000000
0.1056970 0.0000000 0.0000000
0.3502270 0.0000000 0.0000000
0.6581950 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.6670000 2.0000000
1.0000000 0.0000000
0.0000000 1.0000000
F:TZPJB
JB DUNNING [5S3P] set with one d exponent
3
0 1 2
5 3 1
11 6 1
23340.0000000 3431.0000000 757.7000000 209.2000000 66.7300000
23.3700000 23.3700000 8.6240000 2.6920000 1.0090000
0.3312000
0.0007570 0.0000000 0.0000000 0.0000000 0.0000000
0.0060810 0.0000000 0.0000000 0.0000000 0.0000000
0.0326360 0.0000000 0.0000000 0.0000000 0.0000000
0.1317040 0.0000000 0.0000000 0.0000000 0.0000000
0.3962400 0.0000000 0.0000000 0.0000000 0.0000000
0.5436720 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2648930 0.0000000 0.0000000 0.0000000
0.0000000 0.7679250 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
65.6600000 15.2200000 4.7880000 1.7320000 0.6206000
0.2070000
0.0160370 0.0000000 0.0000000
0.1056970 0.0000000 0.0000000
0.3502270 0.0000000 0.0000000
0.6581950 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
1.7500000
1.0000000 0.0000000
0.0000000 0.0000000
CL:TZ2PJB
JB (12s9p)/[6s5p] (McL,Ch) plus two d exponents (JCP 83, 5721 (1985))
3
0 1 2
6 5 2
13 10 2
124.5380000 339.9100000 1030.8000000 3619.7000000 15872.0000000
105818.8000000 20.8060000 49.5140000 124.5380000 6.4648000
2.5254000 0.5378000 0.1935000
0.5812210 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.3652300 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.1180100 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0296760 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0057530 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0007430 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2901430 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6228810 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1375480 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
6.5995000 16.6120000 44.7950000 139.8500000 589.7800000
6.5995000 2.7141000 0.9528000 0.3580000 0.1250000
0.7268110 0.0000000 0.0000000 0.0000000 0.0000000
0.2623150 0.0000000 0.0000000 0.0000000 0.0000000
0.0959160 0.0000000 0.0000000 0.0000000 0.0000000
0.0215360 0.0000000 0.0000000 0.0000000 0.0000000
0.0027600 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 -1.5649240 0.0000000 0.0000000 0.0000000
0.0000000 1.4957780 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 1.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 1.0000000
0.5500000 2.0000000
1.0000000 0.0000000
0.0000000 1.0000000
H:TZ2PJB
JB DUNNING [5S3P] set (scaled by 1.2) with two p exponents
2
0 1
3 2
5 2
48.4416000 07.2835200 1.6516800 0.4623840 0.1458720
0.0253740 0.0000000 0.0000000
0.1896840 0.0000000 0.0000000
0.8529330 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0.5000000 1.5000000
1.0000000 0.0000000
0.0000000 1.0000000
P:TZ2PFJB
JB (12s9p)/[6s5p] (McL,Ch) plus two d exponents (JCP 83, 5721 (1985))
9
0 0 0 0 1 1 1 2 3
1 1 2 2 1 2 2 2 1
6 3 2 2 5 3 2 2 1
77492.4300000 11605.7900000 2645.9600000 754.9800000 248.7500000
91.1570000000
.0007870 .0000000 .0000000 .0000000 .0000000 .0000000
.0061070 .0000000 .0000000 .0000000 .0000000 .0000000
.0313730 .0000000 .0000000 .0000000 .0000000 .0000000
.1242390 .0000000 .0000000 .0000000 .0000000 .0000000
.3808930 .0000000 .0000000 .0000000 .0000000 .0000000
.5598120 .0000000 .0000000 .0000000 .0000000 .0000000
91.15700000 36.2260000 15.2110000
.1639860 .0000000 .0000000 .0000000 .0000000
.6259500 .0000000 .0000000 .0000000 .0000000
.2621960 .0000000 .0000000 .0000000 .0000000
4.7138000 1.7827000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
.3425000 .1246000
1.0000000 .0000000 .0000000
.0000000 1.0000000 .0000000
384.8400000 90.55200000 28.8060000 10.6880000 4.2521000
.0032400 .0000000 .0000000 .0000000 .0000000
.0249250 .0000000 .0000000 .0000000 .0000000
.1056970 .0000000 .0000000 .0000000 .0000000
.2632290 .0000000 .0000000 .0000000 .0000000
.7190530 .0000000 .0000000 .0000000 .0000000
4.2521000 1.740500 .59790000
-1.6127390 .0000000 .0000000 .0000000
1.2050830 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
.2292000 .0838000
1.0000000 .0000000 .0000000 .0000000
.0000000 1.0000000 .0000000 .0000000
0.5500000 2.0000000
1.0000000 0.0000000
0.0000000 1.0000000
0.4500000
1.0000000
back to up page