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Ole Schütt 2021-03-11 15:21:28 +01:00 • committed by Ole Schütt
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commit 6a330cddb3
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@ -1086,618 +1086,618 @@ Kr minix
5 2 2 1 1
0.44300000000 1.0000000000
# rb (7s,6p,2d) / [5s,3p,2d]
# rb (7s,6p,2d) / [5s,3p,2d]
Rb minix
10
1 0 0 3 1
4.6687885071 0.29008526793
2.9442428420 -0.67740090428
0.58171262989 0.45712389487
4.6687885071 0.29008526793
2.9442428420 -0.67740090428
0.58171262989 0.45712389487
2 0 0 1 1
0.45147933555 1.0000000000
0.45147933555 1.0000000000
3 0 0 1 1
0.21604923532 1.0000000000
0.21604923532 1.0000000000
4 0 0 1 1
0.32088816526E-01 1.0000000000
0.32088816526E-01 1.0000000000
5 0 0 1 1
0.13833878175E-01 1.0000000000
0.13833878175E-01 1.0000000000
2 1 1 4 1
5.5234179480 0.51234729472E-01
3.4120149646 -0.17337025646
0.76899021792 0.43339683188
0.33088071786 0.55354332721
5.5234179480 0.51234729472E-01
3.4120149646 -0.17337025646
0.76899021792 0.43339683188
0.33088071786 0.55354332721
3 1 1 1 1
0.13423268441 1.0000000000
0.13423268441 1.0000000000
4 1 1 1 1
0.20642679613E-01 1.0000000000
0.20642679613E-01 1.0000000000
3 2 2 1 1
0.2260000 1.0000000
0.2260000 1.0000000
4 2 2 1 1
0.27432280711E-01 1.0000000000
0.27432280711E-01 1.0000000000
# sr (6s,6p,5d) / [4s,3p,2d]
Sr minix
9
1 0 0 3 1
5.9276428767 0.19698765364
3.0691274814 -0.64852205985
0.70675488028 0.62064729022
5.9276428767 0.19698765364
3.0691274814 -0.64852205985
0.70675488028 0.62064729022
2 0 0 1 1
0.33824024280 1.0000000000
0.33824024280 1.0000000000
3 0 0 1 1
0.61768869200E-01 1.0000000000
0.61768869200E-01 1.0000000000
4 0 0 1 1
0.25767593093E-01 1.0000000000
0.25767593093E-01 1.0000000000
2 1 1 4 1
2.4324720000 -0.37145059848
1.6642340000 0.37856824234
0.59455471858 0.59874487803
0.26152621998 0.35314019512
2.4324720000 -0.37145059848
1.6642340000 0.37856824234
0.59455471858 0.59874487803
0.26152621998 0.35314019512
3 1 1 1 1
0.10258814042 1.0000000000
0.10258814042 1.0000000000
4 1 1 1 1
0.33223404030E-01 1.0000000000
0.33223404030E-01 1.0000000000
3 2 2 4 1
3.6180810000 -0.75010000000E-02
0.99665600000 0.10809800000
0.39073500000 0.27854000000
0.12277000000 0.47731800000
3.6180810000 -0.75010000000E-02
0.99665600000 0.10809800000
0.39073500000 0.27854000000
0.12277000000 0.47731800000
4 2 2 1 1
0.36655000000E-01 0.44818300000
0.36655000000E-01 0.44818300000
# y (7s,6p,5d) / [5s,3p,2d]
Y minix
10
1 0 0 3 1
5.1329580000 -1.3864845457
4.2401920000 1.9459581166
1.2982800000 0.44182603154
5.1329580000 -1.3864845457
4.2401920000 1.9459581166
1.2982800000 0.44182603154
2 0 0 1 1
0.82904954347 1.0000000000
0.82904954347 1.0000000000
3 0 0 1 1
0.34752758911 1.0000000000
0.34752758911 1.0000000000
4 0 0 1 1
0.68418878574E-01 1.0000000000
0.68418878574E-01 1.0000000000
5 0 0 1 1
0.27323992904E-01 1.0000000000
0.27323992904E-01 1.0000000000
2 1 1 4 1
2.7279200000 -0.37249884911871
1.9790500000 0.32572065995957
0.79980886805 0.50094655502482
0.38409397354 0.44385929492812
2.7279200000 -0.37249884911871
1.9790500000 0.32572065995957
0.79980886805 0.50094655502482
0.38409397354 0.44385929492812
3 1 1 1 1
0.16173582264 1.0000000000
0.16173582264 1.0000000000
4 1 1 1 1
0.0300000 1.0000000000
0.0300000 1.0000000000
3 2 2 4 1
3.9030833060 -0.0098209792625124
1.1363234302 0.19183629664092
0.45617043877 0.40597788538820
0.17470950748 0.43861485518224
3.9030833060 -0.0098209792625124
1.1363234302 0.19183629664092
0.45617043877 0.40597788538820
0.17470950748 0.43861485518224
4 2 2 1 1
0.61978796638E-01 1.0000000000
0.61978796638E-01 1.0000000000
# zr (7s,6p,5d) / [5s,3p,2d]
Zr minix
10
1 0 0 3 1
5.8737890000 0.54255558714
4.2872700000 -0.95241333244
1.4641370000 -0.13703926411
5.8737890000 0.54255558714
4.2872700000 -0.95241333244
1.4641370000 -0.13703926411
2 0 0 1 1
0.83727682345 0.88521584390
0.83727682345 0.88521584390
3 0 0 1 1
0.36849806511 1.0000000000
0.36849806511 1.0000000000
4 0 0 1 1
0.77806859124E-01 1.0000000000
0.77806859124E-01 1.0000000000
5 0 0 1 1
0.30273088330E-01 1.0000000000
0.30273088330E-01 1.0000000000
2 1 1 4 1
2.8742240000 -0.46624086918
2.1199010000 0.45883133891
0.78845821105 0.58853912475
0.36332579847 0.35822232244
2.8742240000 -0.46624086918
2.1199010000 0.45883133891
0.78845821105 0.58853912475
0.36332579847 0.35822232244
3 1 1 1 1
0.14951762021 1.0000000000
0.14951762021 1.0000000000
4 1 1 1 1
0.30000000000E-01 1.0000000000
0.30000000000E-01 1.0000000000
3 2 2 4 1
4.2898623878 -0.12212868080E-01
1.3615557498 0.19692423520
0.56937550689 0.42057831659
0.22674948677 0.42757027999
4.2898623878 -0.12212868080E-01
1.3615557498 0.19692423520
0.56937550689 0.42057831659
0.22674948677 0.42757027999
4 2 2 1 1
0.83011031631E-01 1.0000000000
0.83011031631E-01 1.0000000000
# nb (7s,6p,5d) / [5s,3p,2d]
Nb minix
10
1 0 0 3 1
6.5663010000 -0.94917907866
4.5864380000 1.5736372883
3.7537700000 0.36380422981
6.5663010000 -0.94917907866
4.5864380000 1.5736372883
3.7537700000 0.36380422981
2 0 0 1 1
0.84187717437 1.0000000000
0.84187717437 1.0000000000
3 0 0 1 1
0.38160666177 1.0000000000
0.38160666177 1.0000000000
4 0 0 1 1
0.85819911368E-01 1.0000000000
0.85819911368E-01 1.0000000000
5 0 0 1 1
0.32702330370E-01 1.0000000000
0.32702330370E-01 1.0000000000
2 1 1 4 1
3.0700630000 -0.51025115881
2.2379640000 0.53570598017
0.80801969671 0.63102216351
0.35783343432 0.30205908942
3.0700630000 -0.51025115881
2.2379640000 0.53570598017
0.80801969671 0.63102216351
0.35783343432 0.30205908942
3 1 1 1 1
0.13820085283 1.0000000000
0.13820085283 1.0000000000
4 1 1 1 1
0.0360000 1.0000000000
0.0360000 1.0000000000
3 2 2 4 1
4.6170975867 -0.13574476955E-01
1.5663438480 0.20374310496
0.66952425826 0.42997453105
0.27140946867 0.4179975484761
4.6170975867 -0.13574476955E-01
1.5663438480 0.20374310496
0.66952425826 0.42997453105
0.27140946867 0.4179975484761
4 2 2 1 1
0.10054426592 1.0000000000
0.10054426592 1.0000000000
# mo (7s,6p,5d) / [5s,3p,2d]
Mo minix
10
1 0 0 3 1
7.2033800000 -0.89310617237
5.0522950000 1.6074095756
2.9135330000 0.27804186088
7.2033800000 -0.89310617237
5.0522950000 1.6074095756
2.9135330000 0.27804186088
2 0 0 1 1
0.97858218681 1.0000000000
0.97858218681 1.0000000000
3 0 0 1 1
0.44369153753 1.0000000000
0.44369153753 1.0000000000
4 0 0 1 1
0.92150090705E-01 1.0000000000
0.92150090705E-01 1.0000000000
5 0 0 1 1
0.34802246935E-01 1.0000000000
0.34802246935E-01 1.0000000000
2 1 1 4 1
3.1518660000 -0.71873040872
2.4534820000 0.76442887870
0.85030192180 0.64808585640
0.36918237179 0.26792115234
3.1518660000 -0.71873040872
2.4534820000 0.76442887870
0.85030192180 0.64808585640
0.36918237179 0.26792115234
3 1 1 1 1
0.13490627460 1.0000000000
0.13490627460 1.0000000000
4 1 1 1 1
0.38200000000E-01 1.0000000000
0.38200000000E-01 1.0000000000
3 2 2 4 1
5.0044445497 -0.21587364862E-01
1.7736823324 0.20958680086
0.76950591696 0.43730880599
0.31530878939 0.41123927009
5.0044445497 -0.21587364862E-01
1.7736823324 0.20958680086
0.76950591696 0.43730880599
0.31530878939 0.41123927009
4 2 2 1 1
0.11754374390 1.0000000000
0.11754374390 1.0000000000
# tc (7s,6p,5d) / [5s,3p,2d]
Tc minix
10
1 0 0 3 1
7.4344020000 -1.1436289973
5.5513270000 1.8752000559
3.0230860000 0.23952854431
7.4344020000 -1.1436289973
5.5513270000 1.8752000559
3.0230860000 0.23952854431
2 0 0 1 1
1.0647443990 1.0000000000
1.0647443990 1.0000000000
3 0 0 1 1
0.48127808497 1.0000000000
0.48127808497 1.0000000000
4 0 0 1 1
0.98299016952E-01 1.0000000000
0.98299016952E-01 1.0000000000
5 0 0 1 1
0.36659977936E-01 1.0000000000
0.36659977936E-01 1.0000000000
2 1 1 4 1
3.4490050000 -0.72277510434
2.6927370000 0.76458962802
0.94427370692 0.64533225171
0.41348148619 0.27195668811
3.4490050000 -0.72277510434
2.6927370000 0.76458962802
0.94427370692 0.64533225171
0.41348148619 0.27195668811
3 1 1 1 1
0.15488152305 1.0000000000
0.15488152305 1.0000000000
4 1 1 1 1
0.40300000000E-01 1.0000000000
0.40300000000E-01 1.0000000000
3 2 2 4 1
5.0906268699 -0.32176405405E-01
2.0156178510 0.21280802536
0.88113887240 0.44403309175
0.36427094833 0.40796933085
5.0906268699 -0.32176405405E-01
2.0156178510 0.21280802536
0.88113887240 0.44403309175
0.36427094833 0.40796933085
4 2 2 1 1
0.13678402297 1.0000000000
0.13678402297 1.0000000000
# ru (7s,6p,5d) -> [5s,3p,2d]
Ru minix
10
1 0 0 3 1
7.9365700000 -1.1772083350
5.9842450000 1.6197059592
4.8822200000 0.51065807556
7.9365700000 -1.1772083350
5.9842450000 1.6197059592
4.8822200000 0.51065807556
2 0 0 1 1
1.1031002163 1.0000000000
1.1031002163 1.0000000000
3 0 0 1 1
0.49818875261 1.0000000000
0.49818875261 1.0000000000
4 0 0 1 1
0.10678711393 1.0000000000
0.10678711393 1.0000000000
5 0 0 1 1
0.39191775872E-01 1.0000000000
0.39191775872E-01 1.0000000000
2 1 1 4 1
3.7546090000 -0.70777873563
2.9165710000 0.74954391484
1.0322209568 0.64660609645
0.45249553774 0.27029086816
3.7546090000 -0.70777873563
2.9165710000 0.74954391484
1.0322209568 0.64660609645
0.45249553774 0.27029086816
3 1 1 1 1
0.16987042198 1.0000000000
0.16987042198 1.0000000000
4 1 1 1 1
0.43000000000E-01 1.0000000000
0.43000000000E-01 1.0000000000
3 2 2 4 1
5.7341846619 -0.35266111560E-01
2.2483686294 0.21802502222
0.98376978359 0.44709565013
0.40379445583 0.40371732508
5.7341846619 -0.35266111560E-01
2.2483686294 0.21802502222
0.98376978359 0.44709565013
0.40379445583 0.40371732508
4 2 2 1 1
0.14978618173 1.0000000000
0.14978618173 1.0000000000
# rh (7s,6p,5d) / [5s,3p,2d]
Rh minix
10
1 0 0 3 1
7.9177440000 0.14014042010165D+01
6.8412070000 -0.17975072656312D+01
2.9598400000 -0.16225754496571
7.9177440000 0.14014042010165D+01
6.8412070000 -0.17975072656312D+01
2.9598400000 -0.16225754496571
2 0 0 1 1
1.3166643441 0.87495110714057
1.3166643441 0.87495110714057
3 0 0 1 1
0.56907152172 1.0000000000
0.56907152172 1.0000000000
4 0 0 1 1
0.10059695193 1.0000000000
0.10059695193 1.0000000000
5 0 0 1 1
0.37071460798E-01 1.0000000000
0.37071460798E-01 1.0000000000
2 1 1 4 1
4.1360790000 -0.55183328017626
2.9462810000 0.61370533515352
1.0792431924 0.64005434538256
0.46611217769 0.25958050755066
4.1360790000 -0.55183328017626
2.9462810000 0.61370533515352
1.0792431924 0.64005434538256
0.46611217769 0.25958050755066
3 1 1 1 1
0.17453169991 1.0000000000
0.17453169991 1.0000000000
4 1 1 1 1
0.0410000 1.0000000000
0.0410000 1.0000000000
3 2 2 4 1
6.8847131641 -0.15962387984517D-01
2.3837304391 0.23047555828858
1.0184384022 0.44075804027937
0.39957494644 0.39567661995894
6.8847131641 -0.15962387984517D-01
2.3837304391 0.23047555828858
1.0184384022 0.44075804027937
0.39957494644 0.39567661995894
4 2 2 1 1
0.13951120264 1.0000000000
0.13951120264 1.0000000000
# pd (7s,6p,5d) / [5s,3p,2d]
Pd minix
10
1 0 0 3 1
8.4756400000 1.2392391076
7.1657170000 -1.6563109970
3.1821100000 -0.13178619060
8.4756400000 1.2392391076
7.1657170000 -1.6563109970
3.1821100000 -0.13178619060
2 0 0 1 1
1.3973644196 1.0000000000
1.3973644196 1.0000000000
3 0 0 1 1
0.60532955868 1.0000000000
0.60532955868 1.0000000000
4 0 0 1 1
0.10229514209 1.0000000000
0.10229514209 1.0000000000
5 0 0 1 1
0.37338972881E-01 1.0000000000
0.37338972881E-01 1.0000000000
2 1 1 4 1
4.2460970000 -0.82324104973
3.3925940000 0.87084659933
1.1975891264 0.63512225791
0.52673750585 0.27225338752
4.2460970000 -0.82324104973
3.3925940000 0.87084659933
1.1975891264 0.63512225791
0.52673750585 0.27225338752
3 1 1 1 1
0.20607094098 1.0000000000
0.20607094098 1.0000000000
4 1 1 1 1
0.37000000000E-01 1.0000000000
0.37000000000E-01 1.0000000000
3 2 2 4 1
7.3613290985 -0.17199885828E-01
2.6291037258 0.23313745275
1.1292744634 0.44536385867
0.44471659896 0.39293650406
7.3613290985 -0.17199885828E-01
2.6291037258 0.23313745275
1.1292744634 0.44536385867
0.44471659896 0.39293650406
4 2 2 1 1
0.15544893836 1.0000000000
0.15544893836 1.0000000000
# ag (7s,6p,5d) / [5s,3p,2d]
Ag minix
10
1 0 0 3 1
9.0884420000 -1.9808918797
7.5407310000 2.7554513347
2.7940050000 0.22715408381
9.0884420000 -1.9808918797
7.5407310000 2.7554513347
2.7940050000 0.22715408381
2 0 0 1 1
1.4918135849 1.0000000000
1.4918135849 1.0000000000
3 0 0 1 1
0.63579159445 1.0000000000
0.63579159445 1.0000000000
4 0 0 1 1
0.10368414161 1.0000000000
0.10368414161 1.0000000000
5 0 0 1 1
0.37460004363E-01 1.0000000000
0.37460004363E-01 1.0000000000
2 1 1 4 1
4.4512400000 -0.99352103771
3.6752630000 1.0500525237
1.2610620905 0.64747532537
0.54212477498 0.25621550723
4.4512400000 -0.99352103771
3.6752630000 1.0500525237
1.2610620905 0.64747532537
0.54212477498 0.25621550723
3 1 1 1 1
0.20221617026 1.0000000000
0.20221617026 1.0000000000
4 1 1 1 1
0.0412000 1.0000000000
0.0412000 1.0000000000
3 2 2 4 1
7.7956672292 -0.17042912377E-01
2.8926510238 0.23446154803
1.2474273203 0.44765877533
0.49313817671 0.39064954560
7.7956672292 -0.17042912377E-01
2.8926510238 0.23446154803
1.2474273203 0.44765877533
0.49313817671 0.39064954560
4 2 2 1 1
0.17285032603 1.0000000000
0.17285032603 1.0000000000
# cd (7s,6p,5d) / [5s,3p,2d]
Cd minix
10
1 0 0 3 1
9.7270110000 -1.7930075316
7.8375230000 2.6110318971
5.0891940000 0.10748428949
9.7270110000 -1.7930075316
7.8375230000 2.6110318971
5.0891940000 0.10748428949
2 0 0 1 1
1.4981738327 1.0000000000
1.4981738327 1.0000000000
3 0 0 1 1
0.67281383129 1.0000000000
0.67281383129 1.0000000000
4 0 0 1 1
0.13297424875 1.0000000000
0.13297424875 1.0000000000
5 0 0 1 1
0.46915090488E-01 1.0000000000
0.46915090488E-01 1.0000000000
2 1 1 4 1
4.7427160000 -1.0411923051
3.9366550000 1.1003682332
1.3569243142 0.65366639411
0.58791569541 0.24632369113
4.7427160000 -1.0411923051
3.9366550000 1.1003682332
1.3569243142 0.65366639411
0.58791569541 0.24632369113
3 1 1 1 1
0.21371239619 1.0000000000
0.21371239619 1.0000000000
4 1 1 1 1
0.0516000 1.0000000000
0.0516000 1.0000000000
3 2 2 4 1
7.8631040859 -0.21376239365E-01
3.2935059133 0.22596399568
1.4503676025 0.45294402972
0.59373316766 0.39218971958231D+00
7.8631040859 -0.21376239365E-01
3.2935059133 0.22596399568
1.4503676025 0.45294402972
0.59373316766 0.39218971958231D+00
4 2 2 1 1
0.21760141520 1.0000000000
0.21760141520 1.0000000000
# in (10s,7p,6d) / [4s,4p,2d]
In minix
10
1 0 0 6 1
283.52297445 0.70132141424E-03
23.324282101 -0.90887432418E-01
16.868026844 0.28096825177
6.7866498137 -0.70697832452
1.6782596016 0.98671644913
0.78396870439 0.62568576302
283.52297445 0.70132141424E-03
23.324282101 -0.90887432418E-01
16.868026844 0.28096825177
6.7866498137 -0.70697832452
1.6782596016 0.98671644913
0.78396870439 0.62568576302
2 0 0 2 1
1.8276654775 -0.34151640249
0.83753492534 -0.59696724334
1.8276654775 -0.34151640249
0.83753492534 -0.59696724334
3 0 0 1 1
0.16643068973 1.0000000000
0.16643068973 1.0000000000
4 0 0 1 1
0.61143742809E-01 1.0000000000
0.61143742809E-01 1.0000000000
2 1 1 4 1
14.699191826 0.92248042349E-01
8.8709038051 -0.32437029300
1.1342905889 0.61162217018
0.52667652433 0.17609640386
14.699191826 0.92248042349E-01
8.8709038051 -0.32437029300
1.1342905889 0.61162217018
0.52667652433 0.17609640386
3 1 1 1 1
2.3284433667 1.0000000000
2.3284433667 1.0000000000
4 1 1 1 1
0.16859144934 1.0000000000
0.16859144934 1.0000000000
5 1 1 1 1
0.50070381081E-01 1.0000000000
0.50070381081E-01 1.0000000000
3 2 2 5 1
31.378655926 0.54007004722E-02
18.290046326 -0.11208558948E-01
3.2551894590 0.30384519161
1.3874842584 0.54078109979
0.54248962672 0.38232680038
31.378655926 0.54007004722E-02
18.290046326 -0.11208558948E-01
3.2551894590 0.30384519161
1.3874842584 0.54078109979
0.54248962672 0.38232680038
4 2 2 1 1
0.18000000000 1.0000000000
0.18000000000 1.0000000000
# sn (10s,7p,6d) / [4s,4p,2d]
Sn minix
10
1 0 0 6 1
375.95156177 0.15224884228E-02
23.661818008 -0.16776065030
19.946281315 0.33989090393
6.8240270454 -0.84441791529
1.8771488722 0.92646952846
0.82033199226 0.53091094490
375.95156177 0.15224884228E-02
23.661818008 -0.16776065030
19.946281315 0.33989090393
6.8240270454 -0.84441791529
1.8771488722 0.92646952846
0.82033199226 0.53091094490
2 0 0 2 1
10.341549887 -0.90331119154E-02
1.3672524155 0.22980877714
10.341549887 -0.90331119154E-02
1.3672524155 0.22980877714
3 0 0 1 1
0.18314843823 1.0000000000
0.18314843823 1.0000000000
4 0 0 1 1
0.69547226146E-01 1.0000000000
0.69547226146E-01 1.0000000000
2 1 1 4 1
21.293597748 0.37103218279E-01
8.8171842499 -0.32351709661
1.2347028371 0.83846760898
0.57869142617 0.23294977050
21.293597748 0.37103218279E-01
8.8171842499 -0.32351709661
1.2347028371 0.83846760898
0.57869142617 0.23294977050
3 1 1 1 1
2.5084050284 1.0000000000
2.5084050284 1.0000000000
4 1 1 1 1
0.21298577719 1.0000000000
0.21298577719 1.0000000000
5 1 1 1 1
0.67364584657E-01 1.0000000000
0.67364584657E-01 1.0000000000
3 2 2 5 1
39.693023177 0.39185734275E-02
20.852179275 -0.68210073667E-02
3.6907832774 0.27938420495
1.5849404530 0.52607409874
0.62772693365 0.36149465348
39.693023177 0.39185734275E-02
20.852179275 -0.68210073667E-02
3.6907832774 0.27938420495
1.5849404530 0.52607409874
0.62772693365 0.36149465348
4 2 2 1 1
0.20500000000 1.0000000000
0.20500000000 1.0000000000
# sb (10s,7p,6d) / [4s,4p,2d]
Sb minix
10
1 0 0 6 1
372.76139166 0.15878057239E-02
22.689478596 -0.15027605583
18.391547037 0.35915813039
7.6406271414 -0.74805091065
1.9052000235 0.92017581656
0.93007107773 0.46754079597
372.76139166 0.15878057239E-02
22.689478596 -0.15027605583
18.391547037 0.35915813039
7.6406271414 -0.74805091065
1.9052000235 0.92017581656
0.93007107773 0.46754079597
2 0 0 2 1
10.584496987 -0.14845336778E-01
1.4680242769 0.35289492025
10.584496987 -0.14845336778E-01
1.4680242769 0.35289492025
3 0 0 1 1
0.21621190032 1.0000000000
0.21621190032 1.0000000000
4 0 0 1 1
0.83546307041E-01 1.0000000000
0.83546307041E-01 1.0000000000
2 1 1 4 1
15.926550950 0.13206950012
10.052739237 -0.41511149340
1.2682183726 0.74197972626
0.57196620929 0.15580772750
15.926550950 0.13206950012
10.052739237 -0.41511149340
1.2682183726 0.74197972626
0.57196620929 0.15580772750
3 1 1 1 1
2.6190751238 1.0000000000
2.6190751238 1.0000000000
4 1 1 1 1
0.25183282652 1.0000000000
0.25183282652 1.0000000000
5 1 1 1 1
0.83389127684E-01 1.0000000000
0.83389127684E-01 1.0000000000
3 2 2 5 1
45.485063360 0.32556415807E-02
18.504059617 -0.54952972010E-02
3.9156032308 0.27988806353
1.7142196009 0.51273377761
0.69675478242 0.33288802736
45.485063360 0.32556415807E-02
18.504059617 -0.54952972010E-02
3.9156032308 0.27988806353
1.7142196009 0.51273377761
0.69675478242 0.33288802736
4 2 2 1 1
0.23060000000 1.0000000000
0.23060000000 1.0000000000
# te (10s,7p,6d) / [4s,4p,2d]
Te minix
10
1 0 0 6 1
396.47954659 0.26307731203E-02
21.919773309 -0.13203517066
18.061271390 0.36203197834
8.1403463241 -0.75591120276
2.0705998798 0.79192928400
0.97715185085 0.40558342540
396.47954659 0.26307731203E-02
21.919773309 -0.13203517066
18.061271390 0.36203197834
8.1403463241 -0.75591120276
2.0705998798 0.79192928400
0.97715185085 0.40558342540
2 0 0 2 1
11.263563841 -0.15212984183E-01
1.6122696062 0.35202140517
11.263563841 -0.15212984183E-01
1.6122696062 0.35202140517
3 0 0 1 1
0.25095401705 1.0000000000
0.25095401705 1.0000000000
4 0 0 1 1
0.97478452576E-01 1.0000000000
0.97478452576E-01 1.0000000000
2 1 1 4 1
17.479502221 0.11517799182
10.433943171 -0.41205302672
1.3623024763 0.78760578076
0.59239616258 0.15283299018
17.479502221 0.11517799182
10.433943171 -0.41205302672
1.3623024763 0.78760578076
0.59239616258 0.15283299018
3 1 1 1 1
2.7961737670 1.0000000000
2.7961737670 1.0000000000
4 1 1 1 1
0.29766401026 1.0000000000
0.29766401026 1.0000000000
5 1 1 1 1
0.96151090240E-01 1.0000000000
0.96151090240E-01 1.0000000000
3 2 2 5 1
50.821835991 0.33763474774E-02
18.884095378 -0.35221408938E-02
4.2527304630 0.28254216065
1.8757557092 0.52039372916
0.77069282849 0.32213541689
50.821835991 0.33763474774E-02
18.884095378 -0.35221408938E-02
4.2527304630 0.28254216065
1.8757557092 0.52039372916
0.77069282849 0.32213541689
4 2 2 1 1
0.25000000000 1.0000000000
0.25000000000 1.0000000000
# i (10s,7p,6d) / [4s,4p,2d]
# i (10s,7p,6d) / [4s,4p,2d]
I minix
10
1 0 0 6 1
445.90489176 0.20037290389E-02
23.336842412 -0.14989397324
19.583446104 0.36436474913
8.5112089186 -0.75538138199
2.1996161861 0.82816359356
1.0668970454 0.42161048110
445.90489176 0.20037290389E-02
23.336842412 -0.14989397324
19.583446104 0.36436474913
8.5112089186 -0.75538138199
2.1996161861 0.82816359356
1.0668970454 0.42161048110
2 0 0 2 1
11.720547572 -0.16160234511E-01
1.7625986449 0.35271525193
11.720547572 -0.16160234511E-01
1.7625986449 0.35271525193
3 0 0 1 1
0.28697476318 1.0000000000
0.28697476318 1.0000000000
4 0 0 1 1
0.11227609607 1.0000000000
0.11227609607 1.0000000000
2 1 1 4 1
20.499027254 0.77159335656E-01
10.558754576 -0.38370372780
1.5015895485 0.83554174719
0.64597173095 0.16787259488
20.499027254 0.77159335656E-01
10.558754576 -0.38370372780
1.5015895485 0.83554174719
0.64597173095 0.16787259488
3 1 1 1 1
3.0288656771 1.0000000000
3.0288656771 1.0000000000
4 1 1 1 1
0.34506591841 1.0000000000
0.34506591841 1.0000000000
5 1 1 1 1
0.11134513813 1.0000000000
0.11134513813 1.0000000000
3 2 2 5 1
51.235354920 0.40345130346E-02
15.616239482 -0.50768108881E-02
4.5266002139 0.29151065356
2.0529808766 0.51145783605
0.87640281623 0.31232025297
51.235354920 0.40345130346E-02
15.616239482 -0.50768108881E-02
4.5266002139 0.29151065356
2.0529808766 0.51145783605
0.87640281623 0.31232025297
4 2 2 1 1
0.30900000000 1.0000000000
0.30900000000 1.0000000000
# xe (11s,10p,8d,2f) / [6s,5p,3d,2f]
Xe minix
16
1 0 0 5 1
6420.2481656 0.25092173886E-03
983.54530664 0.16251948178E-02
219.43881364 0.46037106451E-02
23.012587807 -0.14698707182
18.048324490 0.57524870348
6420.2481656 0.25092173886E-03
983.54530664 0.16251948178E-02
219.43881364 0.46037106451E-02
23.012587807 -0.14698707182
18.048324490 0.57524870348
2 0 0 2 1
11.752550163 0.66038420156
6.2390917199 0.38470524721
11.752550163 0.66038420156
6.2390917199 0.38470524721
3 0 0 1 1
2.6257211320 1.0000000000
2.6257211320 1.0000000000
4 0 0 1 1
1.2905042943 1.0000000000
1.2905042943 1.0000000000
5 0 0 1 1
0.36204185060 1.0000000000
0.36204185060 1.0000000000
6 0 0 1 1
0.14069888091 1.0000000000
0.14069888091 1.0000000000
2 1 1 3 1
193.81432545 0.95394802497E-03
21.725228086 0.57393353332E-01
9.8891605641 -0.27974266640
193.81432545 0.95394802497E-03
21.725228086 0.57393353332E-01
9.8891605641 -0.27974266640
3 1 1 4 1
13.960683826 -0.50950157807E-01
4.0928947097 0.36669211800
2.2546815460 0.72619456861
1.1546596184 0.35555871740
13.960683826 -0.50950157807E-01
4.0928947097 0.36669211800
2.2546815460 0.72619456861
1.1546596184 0.35555871740
4 1 1 1 1
0.52321923128 1.0000000000
0.52321923128 1.0000000000
5 1 1 1 1
0.21945569800 1.0000000000
0.21945569800 1.0000000000
6 1 1 1 1
0.86158996836E-01 1.0000000000
0.86158996836E-01 1.0000000000
3 2 2 6 1
135.60300038 0.81873543290E-03
38.727062692 0.60897654151E-02
15.377328089 -0.92782985596E-02
5.2602537686 0.22890785589
2.6590627424 0.44434407051
1.2938205124 0.36029482992
135.60300038 0.81873543290E-03
38.727062692 0.60897654151E-02
15.377328089 -0.92782985596E-02
5.2602537686 0.22890785589
2.6590627424 0.44434407051
1.2938205124 0.36029482992
4 2 2 1 1
0.58050830139 1.0000000000
0.58050830139 1.0000000000
5 2 2 1 1
0.18000000000 1.0000000000
0.18000000000 1.0000000000
4 3 3 1 1
0.49652793 1.00000000
0.49652793 1.00000000
5 3 3 1 1
2.5000000 1.0000000000
2.5000000 1.0000000000

1430
data/BASIS_pob
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6712
data/EMSL_BASIS_SETS
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