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TZV
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$basis
*
cu TZV
# cu (17s10p6d) / [6s3p3d] {842111/631/411}
# SCF energy is -1638.9191629234 a.u. (virial theorem = 2.000000036)
# R. Ahlrichs, Sept. 93
*
8 s
377518.79923 .22811766128E-03
56589.984311 .17688035931E-02
12878.711706 .91993460227E-02
3645.3752143 .37411016434E-01
1187.0072945 .12189873737
426.46421902 .28983900714
165.70660164 .41531872174
65.598942707 .21905799287
4 s
414.41265811 -.24682525053E-01
128.32056039 -.11716827406
20.622089750 .55301315941
8.7821226045 .52242718609
2 s
13.741372006 -.22736061821
2.2431246833 .71761210873
1 s
.89370549079 1.0000000000
1 s
.10836699534 1.0000000000
1 s
.38806178058E-01 1.0000000000
6 p
2034.7596692 .23524822298E-02
481.90468106 .19134070751E-01
154.67482963 .90171105278E-01
57.740576969 .26063284735
23.099052811 .42093485770
9.3882478591 .24344615121
3 p
37.596171210 -.28991094530E-01
5.1240690810 .54919083831
2.0119996085 .93793330488
1 p
.73860686002 1.0000000000
4 d
74.129460637 .14363216676E-01
21.359842587 .86628177096E-01
7.4995240537 .25631430541
2.7601394169 .40374062368
1 d
.95362061236 .39427042447
1 d
.28420862520 .23091146816
*
cu TZV.2D
# cu (17s10p6d) / [6s3p3d] {842111/631/411}
# SCF energy is -1638.9109300601 a.u. (virial theorem = 1.999999986)
# optimized for atomic state Cu(2D)
# R. Ahlrichs, Sept. 93
*
8 s
377990.40619 .22814325674E-03
56662.314398 .17689335268E-02
12895.481145 .91999304080E-02
3650.1728620 .37415218711E-01
1188.6131299 .12192278332
427.12902406 .28990712574
165.99982498 .41598554872
65.712626399 .22011738316
4 s
413.64316886 -.24756604253E-01
128.13528109 -.11722278724
20.673150024 .55032939910
8.8248501484 .52550181776
2 s
13.703447530 -.22958831999
2.2728580327 .71196397925
1 s
.93703214198 1.0000000000
1 s
.14124441779 1.0000000000
1 s
.49230864479E-01 1.0000000000
6 p
2041.6572921 .23462744914E-02
483.53267261 .19090122477E-01
155.20189341 .90026177083E-01
57.941144271 .26064198141
23.181609087 .42204948765
9.4304735607 .24561582013
3 p
37.358819218 -.29262100319E-01
5.1591600888 .54474574782
2.0461525138 .93997424832
1 p
.76756844558 1.0000000000
4 d
81.343873931 .12612634765E-01
23.586458044 .78302453270E-01
8.3502869938 .24245116371
3.1366343445 .40301569374
1 d
1.1266592481 .40385233526
1 d
.35881017078 .21680271748
*
$end
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