/usr/share/nwchem/libraries/cvtz is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# Li Be Na Mg K Ca : M. A. Iron, M. Oren, J. M. L. Martin, Alkali and Alkaline Earth Metal Compounds : Core-Valence Basis Sets and Importance of Subvalence, Mol. Phys. 101, 1345 (2003).
#
basis "Li_CVTZ" SPHERICAL
Li S
0.59880000E+04 0.13300000E-03
0.89890000E+03 0.10250000E-02
0.20590000E+03 0.52720000E-02
0.59240000E+02 0.20929000E-01
0.19870000E+02 0.66340000E-01
0.74060000E+01 0.16577500E+00
0.29300000E+01 0.31503800E+00
0.11890000E+01 0.39352300E+00
0.47980000E+00 0.19087000E+00
0.75090000E-01 0.54140000E-02
0.28320000E-01 -0.13280000E-02
Li S
0.59880000E+04 -0.21000000E-04
0.89890000E+03 -0.16100000E-03
0.20590000E+03 -0.82000000E-03
0.59240000E+02 -0.33260000E-02
0.19870000E+02 -0.10519000E-01
0.74060000E+01 -0.28097000E-01
0.29300000E+01 -0.55936000E-01
0.11890000E+01 -0.99237000E-01
0.47980000E+00 -0.11218900E+00
0.75090000E-01 0.56788900E+00
0.28320000E-01 0.53038200E+00
Li S
0.75090000E-01 1.0000000
Li S
0.28320000E-01 1.0000000
Li S
1.6623733541 1.0000000
Li S
4.9087410257 1.0000000
Li P
0.32660000E+01 0.86300000E-02
0.65110000E+00 0.47538000E-01
0.16960000E+00 0.20977200E+00
0.55780000E-01 0.52852200E+00
0.20500000E-01 0.38274400E+00
Li P
0.55780000E-01 1.0000000
Li P
0.20500000E-01 1.0000000
Li P
1.9801361590 1.0000000
Li P
7.7374111536 1.0000000
Li D
0.18740000E+00 1.0000000
Li D
0.80100000E-01 1.0000000
Li D
4.8814932277 1.0000000
Li F
0.18290000E+00 1.0000000
end
basis "Be_CVTZ" SPHERICAL
Be S
0.68630000E+04 0.23603569E-03
0.10300000E+04 0.18264478E-02
0.23470000E+03 0.94516046E-02
0.66560000E+02 0.37956905E-01
0.21690000E+02 0.11996483E+00
0.77340000E+01 0.28216178E+00
0.29160000E+01 0.42740399E+00
0.11300000E+01 0.26627800E+00
0.25770000E+00 0.18193015E-01
0.11010000E+00 -0.72751949E-02
0.44090000E-01 0.19032814E-02
Be S
0.68630000E+04 -0.43079899E-04
0.10300000E+04 -0.33255552E-03
0.23470000E+03 -0.17361462E-02
0.66560000E+02 -0.70117525E-02
0.21690000E+02 -0.23125620E-01
0.77340000E+01 -0.58137619E-01
0.29160000E+01 -0.11455592E+00
0.11300000E+01 -0.13590810E+00
0.25770000E+00 0.22802609E+00
0.11010000E+00 0.57744067E+00
0.44090000E-01 0.31787332E+00
Be S
0.25770000E+00 1.0000000
Be S
0.44090000E-01 1.0000000
Be S
1.6452178654 1.0000000
Be S
4.7235314402 1.0000000
Be P
0.74360000E+01 0.10736034E-01
0.15770000E+01 0.62853547E-01
0.43520000E+00 0.24817977E+00
0.14380000E+00 0.52369883E+00
0.49940000E-01 0.35342527E+00
Be P
0.14380000E+00 1.0000000
Be P
0.49940000E-01 1.0000000
Be P
3.7976623259 1.0000000
Be P
14.5493526003 1.0000000
Be D
0.34800000E+00 1.0000000
Be D
0.18030000E+00 1.0000000
Be D
9.1830456548 1.0000000
Be F
0.32500000E+00 1.0000000
end
basis "Na_CVTZ" SPHERICAL
Na S
0.42300000E+06 0.18061800E-04
0.63340000E+05 0.14043000E-03
0.14410000E+05 0.73843800E-03
0.40770000E+04 0.31118200E-02
0.13280000E+04 0.11208100E-01
0.47860000E+03 0.35282800E-01
0.18620000E+03 0.95989700E-01
0.76920000E+02 0.21373500E+00
0.33320000E+02 0.34868800E+00
0.15000000E+02 0.32456600E+00
0.68690000E+01 0.11263300E+00
0.26830000E+01 0.70679700E-02
0.11090000E+01 0.59801000E-03
0.45400000E+00 0.20413000E-03
0.60150000E-01 -0.53087000E-05
0.23820000E-01 0.18260500E-05
Na S
0.42300000E+06 -0.44065300E-05
0.63340000E+05 -0.34344300E-04
0.14410000E+05 -0.18011400E-03
0.40770000E+04 -0.76390000E-03
0.13280000E+04 -0.27524800E-02
0.47860000E+03 -0.88601600E-02
0.18620000E+03 -0.24793900E-01
0.76920000E+02 -0.60599500E-01
0.33320000E+02 -0.11644600E+00
0.15000000E+02 -0.16243700E+00
0.68690000E+01 -0.43889100E-01
0.26830000E+01 0.33791700E+00
0.11090000E+01 0.56134700E+00
0.45400000E+00 0.24524000E+00
0.60150000E-01 0.40675400E-02
0.23820000E-01 -0.12674600E-02
Na S
0.42300000E+06 0.66301900E-06
0.63340000E+05 0.51576900E-05
0.14410000E+05 0.27125000E-04
0.40770000E+04 0.11463500E-03
0.13280000E+04 0.41511800E-03
0.47860000E+03 0.13297800E-02
0.18620000E+03 0.37559500E-02
0.76920000E+02 0.91402500E-02
0.33320000E+02 0.17985900E-01
0.15000000E+02 0.25147700E-01
0.68690000E+01 0.76352200E-02
0.26830000E+01 -0.61458900E-01
0.11090000E+01 -0.11572100E+00
0.45400000E+00 -0.15890600E+00
0.60150000E-01 0.62640600E+00
0.23820000E-01 0.47540200E+00
Na S
0.45400000E+00 1.0000000
Na S
0.23820000E-01 1.0000000
Na S
0.9727005242 1.0000000
Na S
4.8679536692 1.0000000
Na P
0.24330000E+03 0.22439200E-02
0.57390000E+02 0.17399700E-01
0.18100000E+02 0.77412500E-01
0.65750000E+01 0.21910200E+00
0.25210000E+01 0.37852200E+00
0.96070000E+00 0.39490200E+00
0.35120000E+00 0.16042400E+00
0.98270000E-01 0.23331100E-02
0.37340000E-01 0.19953600E-02
0.15000000E-01 -0.77734400E-03
Na P
0.24330000E+03 -0.22240100E-03
0.57390000E+02 -0.17427700E-02
0.18100000E+02 -0.77545600E-02
0.65750000E+01 -0.22518700E-01
0.25210000E+01 -0.38433000E-01
0.96070000E+00 -0.45017700E-01
0.35120000E+00 -0.19213200E-01
0.98270000E-01 0.18269700E+00
0.37340000E-01 0.55789700E+00
0.15000000E-01 0.37302200E+00
Na P
0.37340000E-01 1.0000000
Na P
0.15000000E-01 1.0000000
Na P
0.6447590117 1.0000000
Na P
1.9533692330 1.0000000
Na D
0.13670000E+00 1.0000000
Na D
0.63600000E-01 1.0000000
Na D
1.6002329770 1.0000000
Na D
5.4055870011 1.0000000
Na F
0.13970000E+00 1.0000000
Na F
3.4309079349 1.0000000
end
basis "Mg_CVTZ" SPHERICAL
Mg S
0.16490000E+06 0.72992852E-04
0.24710000E+05 0.56665208E-03
0.56280000E+04 0.29626934E-02
0.15960000E+04 0.12296244E-01
0.52100000E+03 0.42732390E-01
0.18800000E+03 0.12301339E+00
0.73010000E+02 0.27483212E+00
0.29900000E+02 0.40181847E+00
0.12540000E+02 0.26469734E+00
0.43060000E+01 0.33261243E-01
0.18260000E+01 -0.44133529E-02
0.74170000E+00 0.20602406E-02
0.14570000E+00 -0.83847033E-03
0.76120000E-01 0.70819497E-03
0.33100000E-01 -0.20060176E-03
Mg S
0.16490000E+06 -0.18424833E-04
0.24710000E+05 -0.14350020E-03
0.56280000E+04 -0.74871024E-03
0.15960000E+04 -0.31440747E-02
0.52100000E+03 -0.11048121E-01
0.18800000E+03 -0.33605846E-01
0.73010000E+02 -0.82594554E-01
0.29900000E+02 -0.15931351E+00
0.12540000E+02 -0.15288784E+00
0.43060000E+01 0.19084949E+00
0.18260000E+01 0.57996406E+00
0.74170000E+00 0.37202938E+00
0.14570000E+00 0.21169123E-01
0.76120000E-01 -0.11934365E-01
0.33100000E-01 0.27732867E-02
Mg S
0.16490000E+06 0.35517561E-05
0.24710000E+05 0.27642017E-04
0.56280000E+04 0.14440388E-03
0.15960000E+04 0.60574423E-03
0.52100000E+03 0.21352674E-02
0.18800000E+03 0.64993445E-02
0.73010000E+02 0.16144594E-01
0.29900000E+02 0.31576557E-01
0.12540000E+02 0.31637441E-01
0.43060000E+01 -0.43914029E-01
0.18260000E+01 -0.15109333E+00
0.74170000E+00 -0.21766839E+00
0.14570000E+00 0.25980682E+00
0.76120000E-01 0.54724537E+00
0.33100000E-01 0.32590951E+00
Mg S
0.14570000E+00 1.0000000
Mg S
0.33100000E-01 1.0000000
Mg S
0.9205872712 1.0000000
Mg S
5.7787885890 1.0000000
Mg P
0.31690000E+03 0.20753175E-02
0.74860000E+02 0.16286888E-01
0.23720000E+02 0.73869726E-01
0.86690000E+01 0.21429700E+00
0.33630000E+01 0.38215378E+00
0.13100000E+01 0.39817821E+00
0.49110000E+00 0.15287777E+00
0.23640000E+00 -0.43753955E-02
0.87330000E-01 0.62958244E-02
0.32370000E-01 -0.15676869E-02
Mg P
0.31690000E+03 -0.32972687E-03
0.74860000E+02 -0.25875416E-02
0.23720000E+02 -0.11912032E-01
0.86690000E+01 -0.35022673E-01
0.33630000E+01 -0.63996825E-01
0.13100000E+01 -0.70443568E-01
0.49110000E+00 -0.37583553E-01
0.23640000E+00 0.17704345E+00
0.87330000E-01 0.56670743E+00
0.32370000E-01 0.39614295E+00
Mg P
0.87330000E-01 1.0000000
Mg P
0.32370000E-01 1.0000000
Mg P
1.0535210745 1.0000000
Mg P
3.0364235255 1.0000000
Mg D
0.29400000E+00 1.0000000
Mg D
0.12600000E+00 1.0000000
Mg D
2.1460271700 1.0000000
Mg D
7.0378303861 1.0000000
Mg F
0.25200000E+00 1.0000000
Mg F
4.4855713424 1.0000000
end
basis "K_CVTZ" SPHERICAL
K S
0.1909345665E-01 -0.00000170819
0.4899385705E-01 0.00000699165
0.1182168340E+00 -0.00001809213
0.2707202135E+00 0.00003117837
0.5938663979E+00 -0.00010344594
0.1259524369E+01 0.00008710641
0.2606736858E+01 -0.00016757678
0.5313536284E+01 0.00125808438
0.1076685816E+02 0.00913591060
0.2188952107E+02 0.10895583344
0.4506594658E+02 0.30039305255
0.9483065478E+02 0.33537488908
0.2058543544E+03 0.22119256766
0.4652704464E+03 0.10854981691
0.1105116392E+04 0.04410869165
0.2784138023E+04 0.01568328689
0.7508907135E+04 0.00498550345
0.2188209905E+05 0.00142662090
0.6954253913E+05 0.00036398591
0.2432677111E+06 0.00008331461
0.9453960843E+06 0.00001580589
0.4119661925E+07 0.00000344355
K S
0.1909345665E-01 0.00007476174
0.4899385705E-01 -0.00030556558
0.1182168340E+00 0.00077725159
0.2707202135E+00 -0.00103645061
0.5938663979E+00 0.00486619689
0.1259524369E+01 0.02612372005
0.2606736858E+01 0.30358239386
0.5313536284E+01 0.55962134674
0.1076685816E+02 0.27423535789
0.2188952107E+02 -0.06055290481
0.4506594658E+02 -0.17786036037
0.9483065478E+02 -0.14013397379
0.2058543544E+03 -0.07577920879
0.4652704464E+03 -0.03378770768
0.1105116392E+04 -0.01310950419
0.2784138023E+04 -0.00456764015
0.7508907135E+04 -0.00143919283
0.2188209905E+05 -0.00041054334
0.6954253913E+05 -0.00010460045
0.2432677111E+06 -0.00002393715
0.9453960843E+06 -0.00000453996
0.4119661925E+07 -0.00000098919
K S
0.1909345665E-01 -0.00052118030
0.4899385705E-01 0.00314756221
0.1182168340E+00 0.01579361240
0.2707202135E+00 0.36924562377
0.5938663979E+00 0.65572135783
0.1259524369E+01 0.23865097576
0.2606736858E+01 -0.29678753570
0.5313536284E+01 -0.33875730699
0.1076685816E+02 -0.11351151923
0.2188952107E+02 0.02158282957
0.4506594658E+02 0.06396961857
0.9483065478E+02 0.04785489531
0.2058543544E+03 0.02549313002
0.4652704464E+03 0.01120366429
0.1105116392E+04 0.00434164416
0.2784138023E+04 0.00150532894
0.7508907135E+04 0.00047501650
0.2188209905E+05 0.00013518086
0.6954253913E+05 0.00003450013
0.2432677111E+06 0.00000788201
0.9453960843E+06 0.00000149716
0.4119661925E+07 0.00000032581
K S
0.1909345665E-01 0.63278989642
0.4899385705E-01 0.57795131641
0.1182168340E+00 -0.13209250671
0.2707202135E+00 -0.19781896078
0.5938663979E+00 -0.17460607725
0.1259524369E+01 -0.05816470700
0.2606736858E+01 0.06256403459
0.5313536284E+01 0.07079819436
0.1076685816E+02 0.02217278529
0.2188952107E+02 -0.00407782912
0.4506594658E+02 -0.01252150751
0.9483065478E+02 -0.00925645546
0.2058543544E+03 -0.00494138378
0.4652704464E+03 -0.00216266685
0.1105116392E+04 -0.00083966852
0.2784138023E+04 -0.00029049645
0.7508907135E+04 -0.00009181052
0.2188209905E+05 -0.00002608961
0.6954253913E+05 -0.00000666671
0.2432677111E+06 -0.00000152138
0.9453960843E+06 -0.00000028928
0.4119661925E+07 -0.00000006290
K S
0.0181486651 1.0000000
K S
0.0507479214 1.0000000
K S
0.3458959019 1.0000000
K S
1.7791738252 1.0000000
K P
0.1288263088E+00 0.00000693267
0.3027945265E+00 0.00004960813
0.6624491061E+00 0.00134037127
0.1375023171E+01 0.02436951461
0.2760021556E+01 0.15954505194
0.5460744403E+01 0.32823122847
0.1085475691E+02 0.32552542139
0.2209577254E+02 0.21419159673
0.4694734906E+02 0.10139861629
0.1061250022E+03 0.03555596279
0.2601483426E+03 0.00970633659
0.7048765891E+03 0.00205833615
0.2151719924E+04 0.00033225264
0.7542772099E+04 0.00004748204
K P
0.1288263088E+00 0.07915000431
0.3027945265E+00 0.35739406322
0.6624491061E+00 0.44624869562
0.1375023171E+01 0.25495277653
0.2760021556E+01 0.00178930522
0.5460744403E+01 -0.12045436198
0.1085475691E+02 -0.11074433452
0.2209577254E+02 -0.07045838348
0.4694734906E+02 -0.03220155813
0.1061250022E+03 -0.01105836632
0.2601483426E+03 -0.00297653829
0.7048765891E+03 -0.00062963218
0.2151719924E+04 -0.00010111782
0.7542772099E+04 -0.00001449018
K P
0.0275233530 1.0000000
K P
0.0598342601 1.0000000
K P
0.2236708155 1.0000000
K P
0.5294791856 1.0000000
K P
2.5987944798 1.0000000
K D
0.0598916844 1.0000000
K D
0.4311105955 1.0000000
K D
1.0358684196 1.0000000
K D
2.5856768395 1.0000000
K F
0.0887804601 1.0000000
K F
1.1289185352 1.0000000
end
basis "Ca_CVTZ" SPHERICAL
Ca S
0.0254108441803 -0.00000238
0.0630307004441 0.00000950
0.1478138859055 -0.00002436
0.3306287416437 0.00004424
0.7116401635679 -0.00012829
1.4869863512959 0.00011531
3.0430732505456 -0.00021688
6.1533119329301 0.00132105
12.4030577392801 0.01054215
25.1422485957806 0.11698026
51.7091253452967 0.30641477
108.8554557050285 0.33226934
236.6384704702638 0.21552371
535.9260256533751 0.10463039
1275.6775212307653 0.04219866
3219.7764745844952 0.01492711
8693.4370914503652 0.00472921
25332.0589264397786 0.00135120
80370.1635951880162 0.00034488
280089.4895136958221 0.00007922
1081704.3511574361473 0.00001509
4670489.0073897046968 0.00000334
Ca S
0.0254108441803 0.00007752
0.0630307004441 -0.00030441
0.1478138859055 0.00076909
0.3306287416437 -0.00103646
0.7116401635679 0.00490140
1.4869863512959 0.03080040
3.0430732505456 0.31571028
6.1533119329301 0.55947885
12.4030577392801 0.26191142
25.1422485957806 -0.07091442
51.7091253452967 -0.18042054
108.8554557050285 -0.13893101
236.6384704702638 -0.07425808
535.9260256533751 -0.03283320
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3219.7764745844952 -0.00439118
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280089.4895136958221 -0.00002300
1081704.3511574361473 -0.00000438
4670489.0073897046968 -0.00000097
Ca S
0.0254108441803 -0.00103986
0.0630307004441 0.00382724
0.1478138859055 0.00781953
0.3306287416437 0.35108906
0.7116401635679 0.69072014
1.4869863512959 0.24098390
3.0430732505456 -0.31815625
6.1533119329301 -0.35516646
12.4030577392801 -0.11408178
25.1422485957806 0.02693817
51.7091253452967 0.06789572
108.8554557050285 0.04968204
236.6384704702638 0.02613839
535.9260256533751 0.01139580
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3219.7764745844952 0.00151463
8693.4370914503652 0.00047638
25332.0589264397786 0.00013540
80370.1635951880162 0.00003457
280089.4895136958221 0.00000793
1081704.3511574361473 0.00000151
4670489.0073897046968 0.00000033
Ca S
0.0254108441803 0.47080628
0.0630307004441 0.67540427
0.1478138859055 0.04170744
0.3306287416437 -0.28604603
0.7116401635679 -0.24547194
1.4869863512959 -0.07383289
3.0430732505456 0.08460201
6.1533119329301 0.09257505
12.4030577392801 0.02777254
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108.8554557050285 -0.01189845
236.6384704702638 -0.00626256
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3219.7764745844952 -0.00036147
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25332.0589264397786 -0.00003231
80370.1635951880162 -0.00000826
280089.4895136958221 -0.00000189
1081704.3511574361473 -0.00000036
4670489.0073897046968 -0.00000008
Ca S
0.0254108441803 1.0000000
Ca S
0.1478138859055 1.0000000
Ca S
0.4499982319 1.0000000
Ca S
2.2508513755 1.0000000
Ca P
0.1665324969063 -0.00003826
0.3898123762486 0.00012743
0.8418804590783 0.00155932
1.7137398379361 0.03118418
3.3589264581687 0.16965296
6.4755806892356 0.32235891
12.5441444458114 0.31424060
24.9430155826533 0.20943205
52.0072555417719 0.10189743
116.1575552830732 0.03677056
283.8971415897409 0.01019832
775.6505211145972 0.00215675
2420.0489531403118 0.00033968
8808.3931189963077 0.00004516
Ca P
0.1665324969063 0.06916953
0.3898123762486 0.35734702
0.8418804590783 0.46622777
1.7137398379361 0.24354336
3.3589264581687 -0.00907722
6.4755806892356 -0.12729362
12.5441444458114 -0.11455950
24.9430155826533 -0.07397203
52.0072555417719 -0.03464363
116.1575552830732 -0.01224615
283.8971415897409 -0.00334268
775.6505211145972 -0.00070550
2420.0489531403118 -0.00011042
8808.3931189963077 -0.00001474
Ca P
0.1665324969063 1.0000000
Ca P
0.3898123762486 1.0000000
Ca P
0.0559602444 1.0000000
Ca P
0.8189608854 1.0000000
Ca P
3.7602627099 1.0000000
Ca D
0.0822549022 1.0000000
Ca D
0.2124268180 1.0000000
Ca D
0.7946174299 1.0000000
Ca D
2.1468368570 1.0000000
Ca F
0.1474011780 1.0000000
Ca F
1.3868465157 1.0000000
end
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