basissets-unpacked
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README,
basis.f,
basis1.dat,
basis2a.dat,
basis2b.dat,
basis3.dat,
basis4a.dat,
basis4b.dat,
basis5.dat,
basis6.dat,
basissets.tar.Z,
makefile.basissets
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D.BASIS1 HYDROGEN
*1,2
1,0,0,0
0,R44,0,0
2
1.3324838E+0,2.0152720E-1
*1,2
1,0,0,0
0,R33,0,0
2
1.332699,0.201546
*1,2
1,0,0,0
0,R38,0,0
2
1.800,0.2700
*1,6
1,0,0,0
0,R33,0,0
6
82.636374,12.409558,2.823854,0.797670,0.258053,0.089891
*1,6
1,0,0,0
0,R44,0,0
6
8.2948597E+1,1.2454699E+1,2.8332036,7.9999715E-1,2.5857979E-1,
8.9963588E-2
*1,7
1,0,0,0
0,R33,0,0
7
188.614448,28.276596,6.424830,1.815041,0.591063,0.212149,0.079891
*1,9
1,0,0,0
0,R33,0,0
9
837.21974,123.52431,27.704222,7.825986,2.565036,0.938258,0.372145,
0.155838,0.066180
*1,10
1,0,0,0
0,R33,0,0
10
1776.775559,254.017712,54.698039,15.018344,4.915078,1.794924,0.710716,
0.304802,0.138046,0.062157
*1,1
1,0,0,0
0,R1,R1,1
1
0.28294
1.0
*1,2
1,0,0,0
1,R2,R2,2
C1
2
1.33248,0.201527
0.27441,0.82123
2,R12
C3,C4
1,0,0,0
2
0.32766,0.78016
*1,2
1,0,0,0
0,R1,R1,1
2
1.3320,0.2015
0.2425,0.1760
*1,2
1,0,0,0
1,R1,R1,1
C21
2
0.3211,0.0163
0.14093,-0.03335
*1,2
1,0,0,0
2,R16,R16,1
C9,C-3
2
8.51819E-01,1.51623E-01
4.30129E-01,6.78914E-01
*1,2
1,0,0,0
1,R24,R24,1
C19
2
1.332480E+0,2.015287E-1
2.744085E-1,8.212254E-1
*1,3
1,0,0,0
1,R2,R2,2
C1
3
4.50038,0.681277,0.151374
0.07048,0.40789,0.64767
2,R12
C3,C4
1,0,0,0
3
0.08491,0.52115,0.52876
*1,3
1,0,0,0
1,R1,R1,1
C21
3
1.6844,0.2586,0.01934
0.08625,0.10736,-0.03909
*1,3
0,1,0,0
1,R1,R1,1
C22
1
0.04527
1.0
*1,3
1,0,0,0
1,R1,R1,4
C2
3
4.2392,0.6577,0.1483
0.1575,0.2164,0.1084
1,R7
C2
2,0,0,0
2,1
0.07482,0.4159,0.6365
1,R7
C3
1,0,0,0
3
0.0307,0.1515,0.0818
1,R7
C3
2,0,0,0
2,1
0.0307,0.1515,1.0
*1,3
1,0,0,0
2,R16,R16,1
C9,C-3
3
2.22766E+00,4.05771E-01,1.09818E-01
1.54329E-01,5.35328E-01,4.44635E-01
*1,3
1,0,0,0
2,R8,R8,1
C2,C-4,C-9
3
4.50037,0.681277,0.151374
0.07048,0.40789,0.64767
*1,3
1,0,0,0
0,R44,R51,2
3
4.5003393E+0,6.8128531E-1,1.5137521E-1
0.07047600,0.40788710,0.64767370
0,R51
2,0,0,0
2,1
0.15631155,0.90466920,1.0
*1,3
1,0,0,0
1,R24,R24,1
C19
3
4.500225E+0,6.812745E-1,1.513748E-1
7.047866E-2,4.078893E-1,6.476689E-1
*1,3
2,0,0,0
2,R75,R75,2
C13,C19
2,1
4.50180D+00,6.81444D-01,1.51398D-01
1.56285D-01,9.04691D-01,1.00000D+00
0,R73
1,0,0,0
3
0.070452,0.407826,0.647752
*1,3
2,0,0,0
0,R65,R65,1
2,1
5.951753D+00,9.00989D-01,2.00192D-01
1.680441D-01,1.00000D+00,1.00000D+00
*1,4
1,0,0,0
1,R2,R2,4
C1
4
13.3615,2.01330,0.453757,0.123317
0.01906,0.13424,0.47449,0.50907
1,R26
C-11
2,0,0,0
3,1
0.032828,0.231208,0.817238,1.0
0,R26
3,0,0,0
2,1,1
0.130844,0.921539,1.0,1.0
0,R71
2,0,0,0
2,2
0.130844,0.921539,0.516820,0.554485
*1,4
1,0,0,0
0,R1,R1,1
4
13.7098,2.0258,0.4552,0.1233
0.0947,0.1620,0.1874,0.0756
*1,4
1,0,0,0
1,R1,R1,1
C21
4
7.042,1.0334,0.2276,0.02006
0.04646,0.08108,0.09059,-0.04064
*1,4
1,0,0,0
2,R16,R16,1
C9,C-3
4
5.21685E+00,9.54620E-01,2.65204E-01,8.80187E-02
5.67523E-02,2.60141E-01,5.32846E-01,2.91626E-01
*1,4
1,0,0,0
0,R44,R43,3
4
1.3007804E+1,1.9620797E+0,4.4452610E-1,1.2194923E-1
0.01968640,0.13797140,0.47831519,0.50110059
0,R43
2,0,0,0
3,1
0.03349240,0.23473023,0.81375586,1.0
0,R43
3,0,0,0
2,1,1
0.13142994,0.92112181,1.0,1.0
*1,4
1,0,0,0
1,R24,R24,1
C19
4
1.300773E+1,1.962079E+0,4.445290E-1,1.219492E-1
1.968761E-2,1.379689E-1,4.783139E-1,5.011038E-1
*1,4
2,0,0,0
0,R31,R31,1
3,1
1.300773D+01,1.962079D+00,4.44529D-01,1.219492D-01
3.34946D-02,2.34727D-01,8.137573D-01,1.00000D+00
*1,4
3,0,0,0
0,R33,R58,2
2,1,1
13.013372,1.962496,0.444569,0.121953
0.019678,0.137952,1.0,1.0
0,R73
1,0,0,0
4
0.019678,0.137952,0.478313,0.501131
*1,4
1,0,0,0
1,R34,R34,1
C19
4
13.19,1.987,0.4489,0.1227
0.0193609,0.1362125,0.4763110,0.5050215
*1,5
1,0,0,0
1,R2,R2,2
C1
5
33.6444,5.05796,1.14680,0.321144,0.101309
0.00612,0.04575,0.20572,0.50822,0.37602
0,R32
3,0,0,0
3,1,1
0.025374,0.189684,0.852933,1.0,1.0
*1,5
1,0,0,0
2,R16,R16,1
C9,C-3
5
1.13057E+01,2.07174E+00,5.78651E-01,1.97573E-01,7.44529E-02
2.21404E-02,1.13540E-01,3.31815E-01,4.82571E-01,1.93573E-01
*1,5
1,0,0,0
1,R6,R6,1
C-5
5
32.39345598,4.95977378,1.14780268,0.32584785,0.10297249
0.03153557,0.22825626,1.0,2.47509199,1.89710096
*1,5
3,0,0,0
0,R44,R50,2
3,1,1
3.3632628E+1,5.0784360E+0,1.1573781E+0,3.2575853E-1,1.0279138E-1
0.02738599,0.18360525,0.85682339,1.0,1.0
0,R57
3,0,0,0
3,1,1
6.11100E-03,4.54111E-02,2.02916E-01,1.0,1.0
*1,5
1,0,0,0
1,R24,R24,1
C19
5
3.405432E+1,5.122332E+0,1.164455E+0,3.271926E-1,1.030649E-1
6.026783E-3,4.503430E-2,2.019221E-1,5.030515E-1,3.854084E-1
*1,5
3,0,0,0
1,R67,R67,1
C19
3,1,1
3.38650D+01,5.09479D+00,1.15879D+00,3.25840D-01,1.02741D-01
2.54938D-02,1.90373D-01,8.52161D-01,1.00000D+00,1.00000D+00
*1,5
2,0,0,0
0,R33,R58,1
4,1
33.865014,5.094788,1.158786,0.325840,0.102741
0.006068,0.045320,0.202850,0.503710,1.0
*1,6
1,0,0,0
1,R2,R2,2
C1
6
68.1600,10.2465,2.34648,0.673320,0.224660,0.082217
0.00255,0.01938,0.09280,0.29430,0.49221,0.24260
3,R13
C1,C5,C8
2,0,0,0
4,2
0.00255,0.01938,0.09280,0.29430,0.49221,0.24260
*1,6
1,0,0,0
1,R24,R24,1
C19
6
8.294860E+1,1.245470E+1,2.833203E+0,7.999973E-1,2.585797E-1,8.996358E-2
1.996848E-3,1.527935E-2,7.530596E-2,2.563387E-1,4.976459E-1,2.967368E-1
*1,7
1,0,0,0
1,R2,R2,1
C1
7
148.2732,22.17427,4.970178,1.370498,0.436661,0.155858,0.060738
0.00097,0.00753,0.03939,0.15161,0.38487,0.44842,0.11220
*1,8
1,0,0,0
1,R2,R2,1
C1
8
293.5708,43.93024,9.891184,2.765179,0.886632,0.315278,0.123655,0.0525423
0.00041,0.00322,0.01694,0.06848,0.21210,0.42121,0.35846,0.06412
*1,8
5,0,0,0
0,R33,R92,1
4,1,1,1,1
402.00995,60.241959,13.732173,3.904505,1.282709,0.465544,0.181120,
0.072791
0.000279,0.002165,0.011200,0.044899,1.0,1.0,1.0,1.0
*1,9
1,0,0,0
1,R2,R2,1
C1
9
594.3123,87.39897,19.72537,5.478296,1.714744,0.618330,0.250988,0.106151,
0.0441606
0.00017,0.00138,0.00720,0.03108,0.10769,0.25781,0.40433,0.29898,0.03645
*1,10
1,0,0,0
1,R2,R2,1
C1
10
1170.498,173.5822,38.65163,10.60720,3.379649,1.202518,0.463925,0.190537,
0.0812406,0.0285649
0.00007,0.00058,0.00318,0.01380,0.04899,0.14249,0.31252,0.41300,0.20267,
0.00775
*1,6
0,1,0,0
1,R1,R1,1
C22
2
0.1393,0.03240
0.03952,0.01539
*1,9
0,1,0,0
1,R1,R1,1
C22
3
0.3363,0.07970,0.02465
0.03369,0.02870,0.00803
*1,12
0,1,0,0
1,R1,R1,1
C22
4
0.7342,0.1743,0.05572,0.02018
0.02544,0.02944,0.02042,0.00452
*2,2
1,0,0,0
0,R33,0,0
2
4.098394,0.532198
*2,3
1,0,0,0
0,R33,0,0
3
13.626736,1.999349,0.382993
*2,4
1,0,0,0
0,R33,0,0
4
38.421634,5.778030,1.241774,0.297964
*2,5
1,0,0,0
0,R33,0,0
5
98.124267,14.768906,3.318825,0.874047,0.244564
*2,6
1,0,0,0
0,R33,0,0
6
233.09250,35.022805,7.955702,2.202780,0.664349,0.208245
*2,7
1,0,0,0
0,R33,0,0
7
528.39034,79.275179,18.036064,5.080905,1.607997,0.536241,0.183315
*2,8
1,0,0,0
0,R33,0,0
8
1149.270536,172.044569,39.080465,11.036173,3.564152,1.240443,0.447316,
0.164206
*2,9
1,0,0,0
0,R33,0,0
9
2290.081800,356.153493,82.041904,23.100840,7.520262,2.686970,1.006248,
0.385286,0.148805
*2,10
1,0,0,0
0,R33,0,0
10
4840.888547,723.108918,164.299706,46.636262,15.277787,5.526897,2.132879,
0.849674,0.343643,0.138709
*2,2
1,0,0,0
1,R2,R2,1
C1
2
4.097728,0.532149
0.28317,0.82559
*2,3
1,0,0,0
1,R2,R2,1
C1
3
13.62324,1.998942,0.382938
0.08026,0.40919,0.65722
*2,3
2,0,0,0
1,R75,R75,1
C19
2,1
1.36267D+01,1.99935D+00,3.82993D-01
1.75230D-01,8.93483D-01,1.00000D+00
*2,4
1,0,0,0
1,R2,R2,1
C1
4
38.47497,5.782948,1.242567,0.298073
0.02373,0.15457,0.46954,0.51380
*2,4
2,0,0,0
1,R77,R77,1
C19
3,1
3.84216D+01,5.77803D+00,1.24177D+00,2.97964D-01
2.37660D-02,1.54679D-01,4.69630D-01,1.00000D+00
*2,5
1,0,0,0
1,R2,R2,1
C1
5
96.72976,14.60940,3.304241,0.873098,0.244528
0.00771,0.05532,0.22080,0.48700,0.39728
*2,5
3,0,0,0
2,R77,R77,1
C13,C19
3,1,1
9.8124267D+01,1.4768906D+01,3.318825D+00,8.74047D-01,2.44564D-01
2.87452D-02,2.08061D-01,8.37635D-01,1.00000D+00,1.00000D+00
*2,6
1,0,0,0
1,R2,R2,1
C1
6
192.4388,28.95149,6.633653,1.879204,0.589851,0.193849
0.00330,0.02465,0.10964,0.29801,0.46844,0.26768
*2,7
1,0,0,0
1,R2,R2,1
C1
7
414.4665,62.24915,14.22123,4.038781,1.297177,0.447530,0.160274
0.00127,0.00971,0.04727,0.15815,0.34285,0.43330,0.18067
*2,8
1,0,0,0
1,R2,R2,1
C1
8
833.0522,124.5050,28.09935,7.921657,2.580737,0.918171,0.347207,0.137777
0.00053,0.00415,0.02134,0.07999,0.21021,0.36990,0.36948,0.11782
*2,9
1,0,0,0
1,R2,R2,1
C1
9
1663.571,246.8036,55.41029,15.41660,4.951881,1.802569,0.725631,0.308364,
0.129793
0.00023,0.00178,0.00939,0.03844,0.11748,0.24466,0.34783,0.31570,0.09809
*2,10
1,0,0,0
1,R2,R2,1
C1
10
3293.694,488.8941,108.7723,30.17990,9.789053,3.522261,1.352436,0.552610,
0.240920,0.107951
0.00010,0.00076,0.00412,0.01721,0.05709,0.14909,0.28403,0.36001,0.24887,
0.05242
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