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quack/basis/def2-qzvpd

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clean up basis sets
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!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: def2-QZVPD
! Description: def2-QZVPD
! Role: orbital
! Version: 1 (Data from Turbomole 7.3)
!----------------------------------------------------------------------
$DATA
basis
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HYDROGEN
S 4
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1 190.6916900 0.70815167E-03
2 28.6055320 0.54678827E-02
3 6.5095943 0.27966605E-01
4 1.8412455 0.10764538
basis
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S 1
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1 0.59853725 1.0000000
basis
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S 1
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1 0.21397624 1.0000000
basis
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S 1
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1 0.80316286E-01 1.0000000
basis
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P 1
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1 2.29200000 1.0000000
basis
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P 1
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1 0.83800000 1.0000000
basis
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P 1
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1 0.29200000 1.0000000
basis
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P 1
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1 0.84063199228E-01 1.0000000
basis
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D 1
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1 2.06200000 1.0000000
basis
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D 1
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1 0.66200000 1.0000000
basis
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F 1
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1 1.39700000 1.0000000
basis
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HELIUM
S 5
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1 1144.6470809 0.35861578618E-03
2 171.64596667 0.27725434466E-02
3 39.066056254 0.14241892216E-01
4 11.051401989 0.55457352277E-01
5 3.5725574473 0.16170511810
basis
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S 1
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1 1.2429415962 .33177883833
basis
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S 1
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1 0.44807668730 .42014033068
basis
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S 1
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1 0.16411579128 .18652273014
basis
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P 1
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1 5.99400000 1.0000000
basis
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P 1
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1 1.74500000 1.0000000
basis
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P 1
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1 0.56000000 1.0000000
basis
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P 1
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1 0.16298923122 1.0000000
basis
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D 1
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1 4.29900000 1.0000000
basis
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D 1
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1 1.22300000 1.0000000
basis
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F 1
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1 2.68000000 1.0000000
basis
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LITHIUM
S 9
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1 14853.9770850 0.42711388815E-04
2 2225.2236477 0.33235310800E-03
3 504.88739008 0.17518436649E-02
4 142.45847548 0.73477995850E-02
5 46.315599580 0.25899837683E-01
6 16.655335474 0.76670682431E-01
7 6.4331186199 0.18276075765
8 2.6027043858 0.32655434038
9 1.0897245405 0.37000429828
basis
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S 2
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1 4.4236595971 0.11120987921
2 1.2356394990 0.79987335862
basis
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S 1
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1 0.46067470602 1.0000000
basis
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S 1
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1 0.96617166955E-01 1.0000000
basis
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S 1
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1 0.45915452296E-01 1.0000000
basis
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S 1
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1 0.21140048730E-01 1.0000000
basis
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P 3
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1 3.2605109206 0.86504749023E-02
2 0.65003043115 0.47614123736E-01
3 0.16941671073 0.21001138000
basis
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P 1
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1 3.3270000 1.0000000
basis
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P 1
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1 0.55732343767E-01 1.0000000
basis
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P 1
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1 0.20489959241E-01 1.0000000
basis
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D 1
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1 0.2300000 1.0000000
basis
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D 1
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1 0.0757000 1.0000000
basis
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F 1
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1 0.1350000 1.0000000
basis
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BERYLLIUM
S 8
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1 29646.7044070 0.37943320869E-04
2 4428.7614354 0.29605352634E-03
3 1005.4701332 0.15572477356E-02
4 284.15339578 0.65323195769E-02
5 92.504356461 0.23116861005E-01
6 33.311016058 0.69458515249E-01
7 12.911553314 0.17014371331
8 5.2665497361 0.31682711374
basis
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S 2
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1 22.995386380 0.81791122747E-01
2 6.6236354176 0.80000038023
basis
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S 1
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1 2.2289595003 1.0000000
basis
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S 1
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1 0.95302433451 1.0000000
basis
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S 1
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1 0.24651602436 1.0000000
basis
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S 1
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1 0.10153895315 1.0000000
basis
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S 1
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1 0.41551374604E-01 1.0000000
basis
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P 4
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1 14.099789445 0.38508871145E-02
2 3.1803188482 0.24152380771E-01
3 0.90489220496 0.97926925156E-01
4 0.30411585508 0.29470380030
basis
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P 1
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1 6.4000000 1.0000000
basis
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P 1
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1 0.11302606657 1.0000000
basis
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P 1
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1 0.42831733691E-01 1.0000000
basis
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D 1
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1 0.3600000 1.0000000
basis
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D 1
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1 0.0900000 1.0000000
basis
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F 1
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1 0.2900000 1.0000000
basis
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BORON
S 8
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1 46447.6670560 0.38388681014E-04
2 6957.6889042 0.29836770197E-03
3 1583.4428403 0.15645478806E-02
4 448.46601009 0.65476770742E-02
5 146.28639262 0.23139008388E-01
6 52.784386084 0.69615799357E-01
7 20.519396170 0.17119636876
8 8.4185659258 0.31913191837
basis
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S 2
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1 36.510018312 0.78990617244E-01
2 10.541854005 0.78926384265
basis
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S 1
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1 3.6004091387 1.0000000
basis
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S 1
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1 1.5617023749 1.0000000
basis
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S 1
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1 0.44997370775 1.0000000
basis
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S 1
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1 0.18075230237 1.0000000
basis
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S 1
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1 0.71596696319E-01 1.0000000
basis
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S 1
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1 0.29941402533E-01 1.0000000
basis
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P 5
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1 72.240462760 0.86539170411E-03
2 16.807707208 0.68762067365E-02
3 5.2259410747 0.30976687148E-01
4 1.8508350671 0.10432357913
5 0.72206782663 0.26164137577
basis
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P 1
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1 0.29491018056 1.0000000
basis
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P 1
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1 0.12201141839 1.0000000
basis
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P 1
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1 0.49865393625E-01 1.0000000
basis
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D 1
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1 1.11000000 1.0000000
basis
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D 1
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1 0.40200000 1.0000000
basis
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D 1
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1 0.14500000 1.0000000
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D 1
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1 0.50896593879E-01 1.0000000
basis
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F 1
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1 0.88200000 1.0000000
basis
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F 1
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1 0.31100000 1.0000000
basis
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G 1
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1 0.67300000 1.0000000
basis
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CARBON
S 8
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1 67025.0710290 0.38736308501E-04
2 10039.9865380 0.30107917575E-03
3 2284.9316911 0.15787918095E-02
4 647.14122130 0.66087087195E-02
5 211.09472335 0.23367123250E-01
6 76.177643862 0.70420716898E-01
7 29.633839163 0.17360344953
8 12.187785081 0.32292305648
basis
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S 2
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1 53.026006299 0.74897404492E-01
2 15.258502776 0.76136220983
basis
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S 1
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1 5.2403957464 1.0000000
basis
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S 1
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1 2.2905022379 1.0000000
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S 1
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1 0.69673283006 1.0000000
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S 1
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1 0.27599337363 1.0000000
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S 1
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1 0.10739884389 1.0000000
basis
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S 1
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1 0.44981404899E-01 1.0000000
basis
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P 5
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1 105.12555082 0.84647553844E-03
2 24.884461066 0.66274038534E-02
3 7.8637230826 0.30120390419E-01
4 2.8407001835 0.99951435476E-01
5 1.1227137335 0.23826299282
basis
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1 0.46050725555 1.0000000
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1 0.18937530913 1.0000000
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1 0.75983791611E-01 1.0000000
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1 1.84800000 1.0000000
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1 0.64900000 1.0000000
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1 0.22800000 1.0000000
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D 1
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1 0.76889830417E-01 1.0000000
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F 1
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1 1.41900000 1.0000000
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F 1
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1 0.48500000 1.0000000
basis
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G 1
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1 1.01100000 1.0000000
basis
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NITROGEN
S 8
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1 90726.8892100 0.39257887368E-04
2 13590.5288010 0.30513316455E-03
3 3092.9883781 0.16000560446E-02
4 875.99876362 0.66982937306E-02
5 285.74469982 0.23690078765E-01
6 103.11913417 0.71455405268E-01
7 40.128556777 0.17632774876
8 16.528095704 0.32677592815
basis
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S 2
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1 69.390960983 0.80052094386E-01
2 20.428200596 0.78268063538
basis
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S 1
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1 7.1292587972 1.0000000
basis
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1 3.1324304893 1.0000000
basis
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1 0.98755778723 1.0000000
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1 0.38765721307 1.0000000
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1 0.14909883075 1.0000000
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1 0.62151630318E-01 1.0000000
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P 5
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1 150.05742670 -0.86216165986E-03
2 35.491599483 -0.68571273236E-02
3 11.247864223 -0.31795688855E-01
4 4.0900305195 -0.10537396822
5 1.6220573146 -0.24519708041
basis
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P 1
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1 0.66442261530 1.0000000
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1 0.27099770070 1.0000000
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1 0.10688749984 1.0000000
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1 2.83700000 1.0000000
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1 0.96800000 1.0000000
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1 0.33500000 1.0000000
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1 0.10825280010 1.0000000
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F 1
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1 2.02700000 1.0000000
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F 1
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1 0.68500000 1.0000000
basis
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G 1
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1 1.42700000 1.0000000
basis
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OXYGEN
S 8
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1 116506.4690800 0.40383857939E-04
2 17504.3497240 0.31255139004E-03
3 3993.4513230 0.16341473495E-02
4 1133.0063186 0.68283224757E-02
5 369.99569594 0.24124410221E-01
6 133.62074349 0.72730206154E-01
7 52.035643649 0.17934429892
8 21.461939313 0.33059588895
basis
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S 2
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1 89.835051252 0.96468652996E-01
2 26.428010844 0.94117481120
basis
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S 1
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1 9.2822824649 1.0000000
basis
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S 1
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1 4.0947728533 1.0000000
basis
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S 1
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1 1.3255349078 1.0000000
basis
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S 1
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1 0.51877230787 1.0000000
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S 1
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1 0.19772676454 1.0000000
basis
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S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.69638535104E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 191.15255810 0.25115697705E-02
2 45.233356739 0.20039240864E-01
3 14.353465922 0.93609064762E-01
4 5.2422371832 0.30618127124
5 2.0792418599 0.67810501439
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.84282371424 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33617694891 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12863997974 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.43598162776E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.77500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.30000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12546378695 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.66600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.85900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.84600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
FLUORINE
S 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 132535.9734500 0.47387482743E-04
2 19758.1125880 0.37070120897E-03
3 4485.1996947 0.19450784713E-02
4 1273.8151020 0.80573291994E-02
5 418.93831236 0.27992880781E-01
6 152.55721985 0.82735120175E-01
7 59.821524823 0.19854169012
8 24.819076932 0.34860632233
basis
2020-01-17 13:57:03 +01:00
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 100.74446673 0.10505068816
2 30.103728290 0.94068472434
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 10.814283272 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.8172886770 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.6559334213 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64893519582 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24778104545 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.87626236800E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 240.96654114 0.30389933451E-02
2 57.020699781 0.24357738582E-01
3 18.126952120 0.11442925768
4 6.6457404621 0.37064659853
5 2.6375722892 0.79791551766
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0638217200 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41932562750 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15747588299 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.46772400332E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.01400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.72500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15967986245 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.56200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.14800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.37600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
NEON
S 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 160676.2795500 0.47387482743E-04
2 23953.1950390 0.37070120897E-03
3 5437.5063711 0.19450784713E-02
4 1544.2741024 0.80573291994E-02
5 507.88814269 0.27992880781E-01
6 184.94847750 0.82735120175E-01
7 72.522952039 0.19854169012
8 30.088713575 0.34860632233
basis
2020-01-17 13:57:03 +01:00
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 120.68434940 0.10400597014
2 36.074294857 0.91999988986
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.052091210 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.7974783353 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0478626895 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.80214571994 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30548672205 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10621243030 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 6
clean up basis sets
2020-10-26 14:52:11 +01:00
1 498.43397466 0.43118261050E-03
2 118.14109217 0.36206397703E-02
3 38.032529735 0.18245344081E-01
4 14.183731950 0.65133035572E-01
5 5.7864190721 0.16708915089
6 2.4599622160 0.29268019613
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0421999498 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.42987748916 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16889708453 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47169461232E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.47100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.21300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.74700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19790459442 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.65700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.52400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.98300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SODIUM
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 379852.2008100 0.20671384468E-04
2 56886.0063780 0.16070466617E-03
3 12942.7018380 0.84462905848E-03
4 3664.3017904 0.35519026029E-02
5 1194.7417499 0.12754034468E-01
6 430.98192917 0.39895462742E-01
7 167.83169424 0.10720154498
8 69.306669040 0.23339516913
9 29.951170886 0.36333077287
10 13.380791097 0.30544770974
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 121.74011283 0.36142427284E-01
2 37.044143387 0.28820961687
3 13.995422624 0.79337384869
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.9827797428 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.4830455118 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0452506187 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.43875640383 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65595633185E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30561925072E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15509064018E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 690.77627017 0.37478518415E-03
2 163.82806121 0.31775441030E-02
3 52.876460769 0.16333581338E-01
4 19.812270493 0.59754902585E-01
5 8.1320378784 0.15879328812
6 3.4969068377 0.29049363260
7 1.5117244146 0.36368131139
8 0.64479294912 0.28195867334
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26145823312 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11704726116 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40494747666E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15666707355E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.9000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0757000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1350000 1.0000000
basis
2020-01-17 13:57:03 +01:00
MAGNESIUM
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 605967.7875300 0.14430176617E-04
2 90569.0946920 0.11249871807E-03
3 20574.2528440 0.59264972450E-03
4 5818.6284865 0.24988770424E-02
5 1895.6296075 0.90230775141E-02
6 683.45941021 0.28579919806E-01
7 266.18219762 0.79064453923E-01
8 110.11220010 0.18269337814
9 47.777041234 0.32157193967
10 21.542166149 0.35028259389
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 174.12136378 0.22931111278E-01
2 53.484972498 0.19151777552
3 20.500213307 0.61155711055
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.8056826922 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.5402989348 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5450850046 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66540195432 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14355439071 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66624673468E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29772648266E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 893.20460829 0.34958267428E-03
2 211.78258286 0.29811890111E-02
3 68.443200537 0.15517845758E-01
4 25.727265349 0.57578659557E-01
5 10.606634281 0.15610307853
6 4.5934126484 0.29230912580
7 2.0100469807 0.37219024072
8 0.87384841536 0.27578088891
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35615076666 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18995954356 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.74580135669E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29221641309E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.8100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0520000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ALUMINUM
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 754550.7826500 0.13421335886E-04
2 112999.3892200 0.10433210786E-03
3 25715.8317590 0.54841772080E-03
4 7283.6030283 0.23089081391E-02
5 2376.0008796 0.83309974593E-02
6 857.65468087 0.26417963653E-01
7 334.38922598 0.73443646426E-01
8 138.48504731 0.17184039139
9 60.150368808 0.31041980030
10 27.127610860 0.35669190596
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 225.36500065 0.21522039783E-01
2 69.341968124 0.18531780493
3 26.619335712 0.63533181245
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.349420671 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.5878785994 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0571338103 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.90864549395 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24226988038 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11248136869 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48156492817E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21134849794E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1489.6119522 0.20177122443E-03
2 353.01399267 0.17508109203E-02
3 114.40764069 0.94424704664E-02
4 43.312186111 0.36868004006E-01
5 18.027322216 0.10892874007
6 7.9675432403 0.23265901004
7 3.6090399541 0.34643587076
8 1.6456081630 0.33440809866
basis
2020-01-17 13:57:03 +01:00
P 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 34.731187489 0.17823073020E-01
2 1.2553083630 -0.59991263926
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.73635534282 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24686465559 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.94821971828E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.36214165654E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.9700000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4370000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1950000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0800000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30664004967E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4010000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1540000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3570000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SILICON
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 918070.6956500 0.12658787192E-04
2 137485.2538600 0.98408387461E-04
3 31287.7727140 0.51731398244E-03
4 8861.6105697 0.21785441933E-02
5 2890.6943156 0.78656853716E-02
6 1043.4063979 0.24987553674E-01
7 406.80160276 0.69761818844E-01
8 168.48360207 0.16473362733
9 73.185628823 0.30285602647
10 32.998485420 0.36007260439
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 278.78751325 0.20185463814E-01
2 85.910228722 0.17720406747
3 32.992604031 0.63587860906
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.033693254 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.7257514773 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.6146521029 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1757833152 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35432330868 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16248335806 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68332457181E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30521078871E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1775.8850516 0.20186971126E-03
2 420.83786849 0.17544314655E-02
3 136.42290243 0.95039532290E-02
4 51.700991737 0.37325741590E-01
5 21.559456002 0.11085396329
6 9.5559200095 0.23756407046
7 4.3529819473 0.35295783750
8 2.0096964381 0.32885931947
basis
2020-01-17 13:57:03 +01:00
P 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 46.418153780 0.25858819154E-01
2 1.9076417796 -0.59874865899
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.92337221587 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34515720370 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13656834761 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52987060586E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.64500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.608000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.272000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.113000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44018904228E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.541000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.212000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.461000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
PHOSPHORUS
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1090561.7138000 0.12142449664E-04
2 163316.3946100 0.94395292614E-04
3 37166.6074510 0.49622262177E-03
4 10526.8809450 0.20900040747E-02
5 3433.9976028 0.75489230025E-02
6 1239.5360480 0.24010423937E-01
7 483.27456199 0.67231473697E-01
8 200.16911586 0.15978669881
9 86.960394829 0.29735906782
10 39.211283369 0.36187171850
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 336.75883662 0.19154721050E-01
2 103.72179793 0.17134079100
3 39.771861240 0.63689655985
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.888612952 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.9644556879 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.2198092087 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4669943979 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47765437532 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21637789241 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.90235894336E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40836372978E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2019.6711374 0.21359172406E-03
2 478.60125090 0.18568771399E-02
3 155.14942504 0.10070690115E-01
4 58.816356575 0.39605153679E-01
5 24.544512785 0.11736067844
6 10.883571061 0.24950540642
7 4.9624791285 0.36421287984
8 2.3002912343 0.31764127123
basis
2020-01-17 13:57:03 +01:00
P 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 59.371345016 0.39432918004
2 3.0694590986 -6.3522960431
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0634401739 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.45022152161 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18267271344 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.71610333771E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.34300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.807000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.365000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.154000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59687731846E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.703000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.280000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.597000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SULFUR
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1273410.9023000 0.11767088246E-04
2 190697.8300700 0.91478610166E-04
3 43397.8853300 0.48090078640E-03
4 12291.8096770 0.20257193592E-02
5 4009.7420824 0.73190096406E-02
6 1447.3531030 0.23300499900E-01
7 564.30102913 0.65386213610E-01
8 233.74506243 0.15614449910
9 101.56402814 0.29318563787
10 45.805907187 0.36287914289
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 394.27281503 0.18753305081E-01
2 121.72249591 0.16870726663
3 46.754125963 0.63806830653
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 20.923008254 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.2685567800 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.8629345671 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7794684781 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.61064260103 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27412269445 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11325939107 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44392624881E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2189.8930459 0.23912552864E-03
2 518.94596592 0.20772032158E-02
3 168.19560151 0.11242420571E-01
4 63.745282788 0.44069933941E-01
5 26.597033077 0.12918778608
6 11.774251449 0.26910820167
7 5.3534379024 0.37855928620
8 2.4701911802 0.29692134655
basis
2020-01-17 13:57:03 +01:00
P 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 82.120288349 -0.39420318847E-01
2 4.9523532869 0.64048403090
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0828262029 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.49271277356 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20483450942 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.80743615716E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25661157833E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.15900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.01900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.464000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.194000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.67889829366E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.869000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.335000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.683000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
CHLORINE
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1467459.0095000 0.11478257194E-04
2 219756.1643300 0.89234299775E-04
3 50010.7703010 0.46911086186E-03
4 14164.8239180 0.19762446133E-02
5 4620.7465525 0.71419937783E-02
6 1667.8991635 0.22753219445E-01
7 650.29199265 0.63959782953E-01
8 269.38037376 0.15331059238
9 117.06752106 0.28986952417
10 52.811766843 0.36348071452
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 461.42769988 0.18019457578E-01
2 142.12665355 0.16489442314
3 54.437838768 0.63891587584
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 24.160770219 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.7083540306 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.5640696733 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1194744832 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.75722365394 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33747224597 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13860775149 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54234565513E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2501.9457890 0.24242618410E-03
2 592.88059285 0.21079961749E-02
3 192.18089186 0.11432693869E-01
4 72.875710488 0.44956698060E-01
5 30.436358370 0.13197476145
6 13.490178902 0.27493639225
7 6.1478071413 0.38347236372
8 2.8450944820 0.28871943885
basis
2020-01-17 13:57:03 +01:00
P 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 105.39397936 -0.34311760144E-01
2 6.7369738513 0.64060818902
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2421095772 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.55669714254 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23387801464 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.93164490890E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27256146018E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.19100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.27600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.583000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.243000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.83456538402E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.08900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.423000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.827000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ARGON
S 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1673421.9494000 0.11245990413E-04
2 250601.7537300 0.87428115798E-04
3 57030.9121200 0.45961641275E-03
4 16153.3039150 0.19363890742E-02
5 5269.4109288 0.69994046497E-02
6 1902.0315541 0.22312068196E-01
7 741.57677159 0.62808077697E-01
8 307.20901906 0.15101140997
9 133.52786203 0.28713661177
10 60.253381291 0.36385490107
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 522.02426206 0.18071323116E-01
2 161.51290469 0.16449219884
3 62.126369433 0.63897334899
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 27.590930012 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11.175528881 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.2959065137 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.4782798895 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.91262095059 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40426067549 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16562886306 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65129364729E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2868.4504581 0.24010435121E-03
2 679.71869590 0.20904788665E-02
3 220.36758824 0.11369316839E-01
4 83.620439734 0.44901977398E-01
5 34.964322657 0.13237156770
6 15.525131784 0.27709277600
7 7.0992979806 0.38613979646
8 3.3021336602 0.28492925372
basis
2020-01-17 13:57:03 +01:00
P 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 128.78765667 -0.30509457751E-01
2 8.4357867977 0.64101621070
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4618661855 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64658010096 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27229295755 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10905182449 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30101149684E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.31500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.56200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.715000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.297000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10105028218 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.32500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.543000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.00700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
POTASSIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2022075.1391000 0.10144874011E-04
2 303044.6556800 0.78783500963E-04
3 69013.9384900 0.41380919674E-03
4 19559.2446150 0.17427571893E-02
5 6383.8934901 0.63004086126E-02
6 2305.3502858 0.20125347032E-01
7 899.14418101 0.56966060520E-01
8 372.59500133 0.13882654093
9 161.97635247 0.27132285414
10 73.085553853 0.36383620662
11 33.595644762 0.24724464776
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 685.49855365 0.44367463797E-02
2 211.66163373 0.42502718169E-01
3 80.851405131 0.18467742018
4 35.108667236 0.29353173891
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.409437283 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.8697147262 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.2121883687 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2610484365 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.61438946301 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27264370973 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.77173005207E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40918397569E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17055762425E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3469.6649718 0.21340225970E-03
2 822.02356107 0.18637844836E-02
3 266.58406636 0.10211431546E-01
4 101.28048161 0.40799604728E-01
5 42.429490761 0.12257473393
6 18.912083912 0.26405833679
7 8.7017779030 0.38227164575
8 4.0854567599 0.29998812383
9 1.8667286060 0.78007265591E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 27.544639057 -0.58222994163E-02
2 9.2098893609 -0.26787531329E-01
3 1.7232877425 0.30666847665
4 0.77969303735 0.66927944165
5 0.34379047862 0.60376468615
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14346681918 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15300000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0540000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2670000 1.0000000
basis
2020-01-17 13:57:03 +01:00
CALCIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2433075.4304000 0.91625196182E-05
2 364160.4301500 0.71271617974E-04
3 82898.7476370 0.37433706369E-03
4 23499.7305400 0.15762862250E-02
5 7671.2245985 0.57026102580E-02
6 2770.2330687 0.18255738108E-01
7 1080.6807550 0.51906421035E-01
8 448.04894531 0.12791238579
9 194.92007727 0.25586635231
10 88.039793338 0.36028678275
11 40.645696719 0.26838462020
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 779.53331918 -0.18403005509E-01
2 241.18856300 -0.17649440544
3 92.403869324 -0.77662799584
4 39.786090342 -1.3352155444
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.195864278 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.3321457067 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.9190196209 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.6667099493 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.80891084908 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.36174199934 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.82379874526E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47947864375E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22308112408E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4064.2232796 0.19780891021E-03
2 962.91550624 0.17307465902E-02
3 312.34501046 0.95298721105E-02
4 118.76056036 0.38387459783E-01
5 49.816153133 0.11679256218
6 22.259679401 0.25637225097
7 10.286094124 0.37986193747
8 4.8606982416 0.30805760637
9 2.2525682942 0.85755999942E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 31.467555443 -0.42441487483E-02
2 10.657589056 -0.19579425947E-01
3 2.0505555426 0.21237507422
4 0.94362089228 0.46277871121
5 0.42709067504 0.39177495728
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17788187209 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.86000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41500000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 16.924012098 0.35543971560E-01
2 4.4655403330 0.18133698335
3 1.4347576200 0.48002060116
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.46552376784 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14097711082 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41467009281E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3210000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SCANDIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2855231.1264000 0.84862794535E-05
2 427433.3422100 0.65998092974E-04
3 97233.2185450 0.34740968058E-03
4 27496.2228460 0.14694099525E-02
5 8948.7324409 0.53410667286E-02
6 3221.0397292 0.17200652511E-01
7 1252.0534077 0.49287065332E-01
8 517.26093376 0.12273534550
9 224.33127242 0.24910183844
10 101.10551671 0.35884366997
11 46.684957855 0.27782811319
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 947.75965484 0.36123019249E-02
2 293.07262846 0.35616224567E-01
3 111.70230657 0.16664064248
4 47.756215212 0.32531051399
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 21.121984009 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.7765922198 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.5982699340 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.9928487767 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.95939954457 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.42566790070 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.98132196006E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.56894222237E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25369907195E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4611.4680242 0.19180655992E-03
2 1092.4666458 0.16801897753E-02
3 354.41923265 0.92763338425E-02
4 134.83390286 0.37537202735E-01
5 56.610873926 0.11493045217
6 25.336605518 0.25446811084
7 11.741313238 0.37993352765
8 5.5697268625 0.30948776388
9 2.5949954062 0.86972259257E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 35.951198081 -0.55780446917E-02
2 12.301020232 -0.25933825208E-01
3 2.3876557755 0.27489094204
4 1.1031823600 0.59208047142
5 0.50008479496 0.49113471853
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20796508799 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10100000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 73.531179748 0.22506354976E-02
2 21.764759639 0.16377610133E-01
3 7.9233701690 0.63330446952E-01
4 3.1847889778 0.17056208548
5 1.3427790019 0.30119020299
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.56149574983 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22764073650 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.85211221793E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4810000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3450000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2470000 1.0000000
basis
2020-01-17 13:57:03 +01:00
TITANIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3070548.8651000 0.86954016630E-05
2 460777.8864300 0.67452737727E-04
3 104901.2288900 0.35477293028E-03
4 29695.8611990 0.14977525588E-02
5 9678.8892688 0.54309912055E-02
6 3490.1877912 0.17439360524E-01
7 1359.2217621 0.49835634640E-01
8 562.42721208 0.12379633943
9 244.22296250 0.25057490943
10 110.16668710 0.35934609007
11 50.881903357 0.27594242664
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 965.95430789 0.41773927781E-02
2 299.27072059 0.40277148567E-01
3 114.83772939 0.17898686817
4 49.477578954 0.31783043543
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 22.982839977 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 10.518305037 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.9774390567 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1339846838 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0342457284 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.46199774995 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10621264194 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54340347374E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25110217385E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5169.6755427 0.18802523596E-03
2 1225.0961638 0.16473458826E-02
3 397.60051934 0.91104554321E-02
4 151.36154684 0.36987450926E-01
5 63.613321773 0.11376329624
6 28.514560307 0.25345208574
7 13.248003298 0.38019402704
8 6.3048807760 0.30989136346
9 2.9493525821 0.87418944007E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 40.738772213 -0.73233793267E-02
2 14.062358461 -0.34282591082E-01
3 2.7460680961 0.35655009250
4 1.2713688141 0.76112035427
5 0.57610015545 0.62716743237
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23981820724 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11000000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.50000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 89.589880075 0.21223030030E-02
2 26.591412960 0.15911819913E-01
3 9.7739715702 0.62875243121E-01
4 3.9625083655 0.17144170807
5 1.6890532654 0.30565506624
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.71539771469 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29366677748 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11079094851 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.45E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0930000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5620000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1910000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6340000 1.0000000
basis
2020-01-17 13:57:03 +01:00
VANADIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3360380.0382000 0.87027840678E-05
2 502646.7317800 0.67786024965E-04
3 114247.2286700 0.35699229090E-03
4 32321.9726300 0.15075507352E-02
5 10532.9472710 0.54664377528E-02
6 3798.3004439 0.17547310839E-01
7 1479.6094715 0.50106594778E-01
8 612.57405507 0.12431296066
9 266.22103326 0.25117026883
10 120.21980126 0.35926015903
11 55.591180848 0.27505075685
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1082.4768635 0.39326847695E-02
2 334.94462061 0.38298477998E-01
3 128.31559026 0.17259908827
4 55.311589616 0.31287423870
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 25.108383036 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11.667553242 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.5372073270 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.3781007618 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1506947329 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.51283991040 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11625711449 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58272785598E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26662312245E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5782.8035005 0.18344743045E-03
2 1369.9392282 0.16095217453E-02
3 444.53147129 0.89242268749E-02
4 169.25617556 0.36375182379E-01
5 71.168730031 0.11246803294
6 31.933358374 0.25226107794
7 14.865336779 0.38039695005
8 7.0921740091 0.31068797325
9 3.3281157846 0.88141200458E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 45.842906017 -0.56661391945E-02
2 15.940339016 -0.26718979445E-01
3 3.1257155025 0.27354632707
4 1.4485867558 0.57972883053
5 0.65577902825 0.47601110515
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27311626644 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12200000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.55000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 103.95047414 0.21007158819E-02
2 30.901688665 0.16015244877E-01
3 11.420321145 0.64127456940E-01
4 4.6573272292 0.17488905695
5 1.9963682623 0.31003778048
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.84967249531 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34953221876 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13165588233 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.9330000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.8310000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2570000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0090000 1.0000000
basis
2020-01-17 13:57:03 +01:00
CHROMIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3637838.6820000 0.87693297699E-05
2 544864.4610000 0.68169050223E-04
3 123997.5507900 0.35844590272E-03
4 35116.7331660 0.15117006948E-02
5 11455.7022980 0.54731929774E-02
6 4135.9906712 0.17539430107E-01
7 1613.2513581 0.50004870927E-01
8 668.77932380 0.12393518958
9 291.01365155 0.25039606407
10 131.57328167 0.35870470429
11 60.924567928 0.27581148880
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1196.2899601 0.77368642037E-02
2 369.76947592 0.75837835399E-01
3 141.54426084 0.34435148637
4 60.999228765 0.63249297923
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 27.599113358 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.882112056 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.1247513721 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.6332895309 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2708482289 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.56483575923 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12596808943 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.62045607277E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28144312720E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6395.8781792 0.18104788151E-03
2 1515.1701574 0.15893658935E-02
3 491.70538681 0.88258739429E-02
4 187.28416675 0.36068946983E-01
5 78.800346444 0.11189649648
6 35.396291693 0.25202239843
7 16.509278879 0.38082266430
8 7.8947396863 0.31035222437
9 3.7136414465 0.87980310362E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 51.259312534 -0.60542038165E-02
2 17.934932523 -0.28761764001E-01
3 3.5257174218 0.29087768170
4 1.6339163906 0.61267525056
5 0.73852413834 0.50126035018
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30752368193 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13500000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 118.24986288 0.21012757435E-02
2 35.193935700 0.16212269500E-01
3 13.057816022 0.65581852668E-01
4 5.3485602844 0.17849601449
5 2.3004233713 0.31376763016
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.98114328305 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40334183206 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15135589551 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.7330000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1470000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3660000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3820000 1.0000000
basis
2020-01-17 13:57:03 +01:00
MANGANESE
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4289357.6441000 0.79360554972E-05
2 636361.0028500 0.62542986761E-04
3 143637.2756900 0.33226388724E-03
4 40406.3454320 0.14130009568E-02
5 13104.3634170 0.51560918319E-02
6 4705.0664255 0.16659574919E-01
7 1825.7125432 0.47908083403E-01
8 753.33816229 0.11994903752
9 326.47253285 0.24550296959
10 147.10300670 0.35822739571
11 67.987226869 0.28295764442
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1300.7266717 0.76025154141E-02
2 402.72027544 0.74365109808E-01
3 154.38971348 0.33780474819
4 66.443384613 0.62779331746
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 30.975316006 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.222980890 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.7598265074 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.9087083287 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3966507792 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.61792624091 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13439483715 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65195053803E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29415713624E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6483.2629658 0.20479778890E-03
2 1556.7134859 0.17525750185E-02
3 509.73925460 0.95798802458E-02
4 195.28408089 0.38681362983E-01
5 82.542547525 0.11832401588
6 37.212076731 0.26168459627
7 17.425804462 0.38400628821
8 8.3691376962 0.29704166759
9 3.9409000444 0.78263290323E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 57.202741010 -0.47749099800E-02
2 20.090935947 -0.22989729915E-01
3 3.9357553763 0.23197065881
4 1.8181984012 0.48435204043
5 0.81881535281 0.39159479004
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34038359193 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15000000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.63000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 6
clean up basis sets
2020-10-26 14:52:11 +01:00
1 200.40254535 0.89549560240E-03
2 59.898225773 0.76257630942E-02
3 22.810570167 0.34523224226E-01
4 9.5874142097 0.10552676975
5 4.2933710910 0.22575377683
6 1.9537618373 0.32766533667
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.87378873598 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37597748904 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14811547592 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60E-01 1.0000000
F 1
1 4.3530000 1.0000000
F 1
1 1.3260000 1.0000000
F 1
1 0.4080000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7550000 1.0000000
basis
2020-01-17 13:57:03 +01:00
IRON
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4313154.4338000 0.86712290122E-05
2 645875.0825300 0.67423150519E-04
3 146981.8769800 0.35448747955E-03
4 41630.6150440 0.14948285557E-02
5 13580.6201090 0.54136698440E-02
6 4902.0620613 0.17362460824E-01
7 1911.2900837 0.49566574059E-01
8 791.99837852 0.12309089705
9 344.54799181 0.24936705764
10 155.78722730 0.35858414677
11 72.179380315 0.27738221642
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1417.9125091 0.74871631942E-02
2 439.23184195 0.73337584435E-01
3 168.51006820 0.33383143870
4 72.776269412 0.62022524641
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 32.752961774 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.434336101 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.3639318205 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.1698832880 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5243708395 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.67496281152 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14718566032 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.70082216629E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31208269419E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7709.0587627 0.17711229843E-03
2 1826.4666323 0.15560056795E-02
3 592.84368362 0.86629536960E-02
4 225.93763245 0.35565954156E-01
5 95.164758890 0.11098847278
6 42.823132375 0.25177796624
7 20.036286581 0.38166911079
8 9.6159346283 0.30963598261
9 4.5393538787 0.87558276626E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 62.997519003 -0.50910388724E-02
2 22.262748731 -0.24540463235E-01
3 4.3900064942 0.24345605487
4 2.0328913928 0.50781898425
5 0.91592621576 0.41214895672
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.38036653507 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0670000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0280000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 6
clean up basis sets
2020-10-26 14:52:11 +01:00
1 218.33430163 0.93700006628E-03
2 65.256292616 0.80008769378E-02
3 24.866944817 0.36305286587E-01
4 10.473399301 0.11057189871
5 4.6947005007 0.23219588596
6 2.1315982534 0.32922859685
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.94748004605 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40346488831 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15687414728 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.62E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.1030000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5980000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5050000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1280000 1.0000000
basis
2020-01-17 13:57:03 +01:00
COBALT
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4658206.5032000 0.86609506454E-05
2 697560.8745300 0.67336300186E-04
3 158759.8712400 0.35399044899E-03
4 44969.0993790 0.14926384309E-02
5 14670.7142470 0.54053095095E-02
6 5295.8947250 0.17335233605E-01
7 2065.0581167 0.49486641301E-01
8 855.90627750 0.12289351961
9 372.48747255 0.24903230028
10 168.50576608 0.35838320259
11 78.128761566 0.27777974150
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1534.5149885 0.74464372833E-02
2 475.52976096 0.72993601986E-01
3 182.54836839 0.33243104986
4 78.916467177 0.61900490005
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 35.500865522 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 16.790414486 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.0240232510 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.4571682964 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.6599835391 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.73380022453 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15878613103 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.74535659476E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32867351695E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8425.4331352 0.17491775490E-03
2 1995.8758452 0.15378901702E-02
3 647.76765681 0.85752453448E-02
4 246.88261214 0.35295266911E-01
5 104.00952246 0.11050007672
6 46.827478138 0.25160924538
7 21.934444535 0.38209003019
8 10.540499528 0.30947119879
9 4.9820419385 0.87436873012E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 69.270787130 -0.61172424428E-02
2 24.583977935 -0.29655043898E-01
3 4.8562258878 0.29163333190
4 2.2480916102 0.60629408335
5 1.0114285977 0.49057440018
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41919905455 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1750000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0730000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 6
clean up basis sets
2020-10-26 14:52:11 +01:00
1 237.58450966 0.97593282671E-03
2 71.086896302 0.83432571945E-02
3 27.119080683 0.37958471100E-01
4 11.448239054 0.11522936171
5 5.1391806672 0.23843467913
6 2.3323492099 0.33205699955
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0338662062 0.33276836067
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.43785146294 0.22769290932
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16895004948 0.74634129160E-01
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.9750000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.9030000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5940000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.5000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
NICKEL
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5037649.9532000 0.86072778771E-05
2 754246.3941800 0.66935354750E-04
3 171644.1601000 0.35190801168E-03
4 48617.2302860 0.14839082715E-02
5 15860.9617950 0.53736344264E-02
6 5726.0018653 0.17233376287E-01
7 2232.9547317 0.49211476915E-01
8 925.49649101 0.12232504536
9 402.75336913 0.24829251588
10 182.19422856 0.35825476194
11 84.494109788 0.27881865553
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1678.0564586 0.82462870895E-02
2 519.21358326 0.81505940361E-01
3 198.95881607 0.37495727651
4 85.901180703 0.70841743832
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 38.435760123 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.252349351 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.7283616939 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.7616245662 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.8028217338 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.79507140513 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17031720284 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.78971236177E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34503486750E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9156.5701453 0.17346418360E-03
2 2169.0239526 0.15257220493E-02
3 703.98918991 0.85163281036E-02
4 268.36293215 0.35117466952E-01
5 113.10288796 0.11020275383
6 50.955539222 0.25162601670
7 23.896708209 0.38246389853
8 11.498241522 0.30907230267
9 5.4410908056 0.87194377415E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 75.938560736 -0.74635546629E-02
2 27.037350184 -0.36453401627E-01
3 5.3404687432 0.35633549406
4 2.4700181361 0.73774121992
5 1.1095029064 0.59439383024
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.45899767101 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1870000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0762000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0310000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 6
clean up basis sets
2020-10-26 14:52:11 +01:00
1 258.11131142 0.23726274275E-02
2 77.254891371 0.20330132784E-01
3 29.500240033 0.92748486665E-01
4 12.477446945 0.28082284560
5 5.6070455111 0.57392657880
6 2.5427744163 0.78766058527
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1238296774 0.77868790423
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47361171459 0.52932234348
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18161858319 0.17478168242
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.71E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.7580000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1740000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6810000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.8720000 1.0000000
basis
2020-01-17 13:57:03 +01:00
COPPER
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5056467.8898000 0.93501916365E-05
2 759457.8383500 0.72323443222E-04
3 173524.8849700 0.37813833845E-03
4 49327.2599880 0.15870129862E-02
5 16144.1499300 0.57220685294E-02
6 5844.5964680 0.18268390048E-01
7 2284.6812739 0.51893720863E-01
8 948.88232514 0.12796192366
9 413.66215455 0.25629891036
10 187.38942059 0.36064416138
11 86.872771648 0.26833664660
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1744.0598287 0.88587079141E-02
2 540.93295513 0.86522785813E-01
3 207.99736224 0.38932285258
4 90.475793036 0.69777199902
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 38.869687699 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.974829147 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.0953644635 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.8330020174 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.8198891499 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.79068098393 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14914142106 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.72448090592E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30959925368E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9720.4614555 0.17828803512E-03
2 2302.7557452 0.15678108633E-02
3 747.48498314 0.87470094509E-02
4 285.00132623 0.36044549301E-01
5 120.15121609 0.11287209053
6 54.145261156 0.25647377341
7 25.406033563 0.38512918379
8 12.224331465 0.30316512356
9 5.7638720668 0.81677218969E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 83.210837217 -0.63530359993E-02
2 29.694779129 -0.31383834666E-01
3 5.8248516206 0.30930039753
4 2.6746181180 0.63583925938
5 1.1841836775 0.50946045967
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48043583535 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1870000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0762000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0310000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 6
clean up basis sets
2020-10-26 14:52:11 +01:00
1 249.54025080 0.12432881244E-02
2 74.683914534 0.10456901995E-01
3 28.392717116 0.46451241249E-01
4 11.955968430 0.13541359729
5 5.3210744624 0.25852899978
6 2.3661189459 0.33168127635
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0131863994 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40710035940 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14742541032 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.71E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.9620000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.2330000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7040000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.2450000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ZINC
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5742307.1507000 0.86864381562E-05
2 861450.7879000 0.67364668570E-04
3 196346.0586600 0.35349715135E-03
4 55682.8707370 0.14884153943E-02
5 18183.9023940 0.53840916617E-02
6 6569.6448019 0.17252738209E-01
7 2563.5613276 0.49238679132E-01
8 1063.1147176 0.12235812174
9 462.89771078 0.24835390245
10 209.52821049 0.35830632832
11 97.240787991 0.27880259960
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1929.2689992 0.83077002177E-02
2 598.07122307 0.81882590163E-01
3 229.69667336 0.37588060221
4 99.416819228 0.71067260445
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 44.241101421 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 21.194367113 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 10.158731597 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.3746176158 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0901489071 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.91869136437 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19278660606 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.87329915171E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37552217126E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 10690.4451070 0.17142867222E-03
2 2532.3159340 0.15088012830E-02
3 821.94295003 0.84368777910E-02
4 313.42757800 0.34898103208E-01
5 132.18314247 0.10993617353
6 59.620554387 0.25207277070
7 28.019488868 0.38325657524
8 13.511704850 0.30787091255
9 6.4053711253 0.86411696761E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 89.981131918 -0.96262847843E-02
2 32.241767106 -0.47509407258E-01
3 6.3809448581 0.45834100431
4 2.9477928353 0.94473799128
5 1.3200854955 0.75923464871
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54424674445 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25799971797 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.92863192359E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34059341410E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 6
clean up basis sets
2020-10-26 14:52:11 +01:00
1 305.22298937 0.27359792434E-02
2 91.468273202 0.23585229776E-01
3 34.986985968 0.10858422440
4 14.849415187 0.32843594226
5 6.6858545707 0.66180235634
6 3.0309412620 0.89165339320
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3355050671 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.55883176392 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21180799287 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.83E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.0200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.6140000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.8360000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.6170000 1.0000000
basis
2020-01-17 13:57:03 +01:00
GALLIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6623802.0274000 0.79091326051E-05
2 987904.0707500 0.61835727406E-04
3 224132.0589900 0.32636322451E-03
4 63315.1929430 0.13810365049E-02
5 20611.3127020 0.50153772104E-02
6 7429.1672482 0.16130936803E-01
7 2894.2071720 0.46240827188E-01
8 1198.9915786 0.11579099571
9 521.82003812 0.23834840794
10 236.27549237 0.35374255971
11 109.98395671 0.29055721918
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2101.2587253 0.83039611523E-02
2 650.97022519 0.82254127688E-01
3 250.22438356 0.38021717478
4 108.17616625 0.74503594690
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 51.057486710 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 23.647474527 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11.361701144 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.0178135897 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.4102674998 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0741046685 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25745075831 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12175227548 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52360599017E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22760500759E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14711.7504830 0.11130990649E-03
2 3482.1451716 0.98495921142E-03
3 1130.2186655 0.55854182058E-02
4 431.54093448 0.23682413047E-01
5 182.41723648 0.78211587173E-01
6 82.706753603 0.19503829929
7 39.228128772 0.34131988495
8 19.201979939 0.35718665135
9 9.5056966689 0.16395955052
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.3482283015 0.37941606569
2 3.7813384844 0.71306291866
3 2.3145183128 0.43210001481
4 0.80346859715 0.25838122797
P 2
1 92.615613022 -0.85848284169E-01
2 33.750148165 -0.39435019538
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5423710087 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32910239639 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11834088831 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41627877699E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 363.49565218 0.87402299276E-03
2 109.01749589 0.76751934098E-02
3 41.866430715 0.36388975341E-01
4 17.879279894 0.11325183017
5 8.1201893671 0.23770881294
6 3.7360611356 0.33306060389
7 1.6826812549 0.33130613756
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.72655790500 0.21895437571
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28498585079 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1120000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.36117914269E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47100000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18100000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40320000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
GERMANIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7233056.0346000 0.76638751457E-05
2 1082886.1731000 0.59603601369E-04
3 246481.4695900 0.31319088031E-03
4 69862.4269550 0.13194051561E-02
5 22815.8096620 0.47736099191E-02
6 8246.5369297 0.15319250467E-01
7 3219.9367257 0.43900870673E-01
8 1336.5743706 0.11028573632
9 582.87737501 0.22912630489
10 264.59511360 0.34779259246
11 123.77823320 0.29968722223
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2311.1055804 0.75033084731E-02
2 716.27089868 0.74778386626E-01
3 275.45330910 0.35092882302
4 118.93292565 0.72055989686
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 58.435699085 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 26.261575973 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.664880671 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.7269548505 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.7555023203 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2432886754 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33107183846 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15964081368 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68463178923E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31407880009E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 16555.7110740 0.10199370391E-03
2 3914.9903745 0.90504190546E-03
3 1269.4766518 0.51558490762E-02
4 484.35437789 0.22010335708E-01
5 204.64985822 0.73434798827E-01
6 92.791032094 0.18608955294
7 44.055060255 0.33330981945
8 21.601319931 0.36229776246
9 10.732169233 0.17765186263
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.0343224115 0.31484763263
2 4.5613438333 0.38737744790
3 3.1794882223 0.50034353638
4 0.92612041457 0.22656707948
P 2
1 100.88933962 -0.11146182144
2 36.640254741 -0.52324324314
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7977040907 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41386865432 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15830798709 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57877035911E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 420.99565921 0.78212192196E-03
2 126.36209818 0.69560123831E-02
3 48.661473548 0.33712188323E-01
4 20.880325527 0.10717291194
5 9.5418229355 0.23161030141
6 4.4353653868 0.33390954301
7 2.0285421942 0.33720676378
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.89484935267 0.21702473265
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35786074334 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48644812609E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54920000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21900000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.46810000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ARSENIC
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8217482.6198000 0.70590618422E-05
2 1230500.3720000 0.54880889611E-04
3 280225.8664800 0.28809164698E-03
4 79482.5094150 0.12129779464E-02
5 25963.7833510 0.43914559880E-02
6 9381.4010193 0.14125362961E-01
7 3660.4911972 0.40657915618E-01
8 1518.2356024 0.10300382633
9 661.80098920 0.21730077101
10 300.58642127 0.33995751412
11 141.11137296 0.31088634077
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2577.0870580 0.70752991980E-02
2 798.07872277 0.71383615256E-01
3 306.57574948 0.34287024634
4 132.27558802 0.74361403413
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 67.448702235 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 29.209180441 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.156509326 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.5561506682 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.1392847238 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4294631050 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41103390885 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20032453310 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.85669928850E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.38271633092E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 25198.5042780 0.54758168372E-04
2 5972.5601381 0.48572462452E-03
3 1941.9123183 0.27908085625E-02
4 743.59381104 0.12201505962E-01
5 315.63828052 0.42666285138E-01
6 143.96878925 0.11870919141
7 69.068683164 0.24909407023
8 34.254305629 0.36061356903
9 17.371746759 0.29392241832
10 8.7634555628 0.97829057366E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 228.49024582 -0.24900140765E-02
2 86.313555488 -0.19482515843E-01
3 36.751366267 -0.61495071038E-01
4 8.5365149464 0.47258065062
5 4.1935128599 1.0236065079
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0464980417 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.98000000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40534340618 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16655070471 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65981706123E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 479.32599612 0.71722800196E-03
2 143.96064855 0.64419223046E-02
3 55.548909224 0.31776498964E-01
4 23.927581006 0.10276249168
5 10.988194172 0.22710952843
6 5.1489356262 0.33477474118
7 2.3836810892 0.34175986071
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0688204667 0.21462891644
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.43305693742 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60336766779E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64400000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26400000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54650000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SELENIUM
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9520446.7743000 0.63309690150E-05
2 1424984.0802000 0.49267697990E-04
3 324127.5768200 0.25920249744E-03
4 91774.8769500 0.10943145743E-02
5 29932.7257250 0.39706139067E-02
6 10804.6179050 0.12801187916E-01
7 4214.0134779 0.36980379417E-01
8 1747.8116633 0.94461349896E-01
9 762.12160878 0.20274705434
10 346.45604141 0.32878956424
11 163.11569304 0.32300252609
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2614.5153067 0.79113928518E-02
2 818.68552756 0.77187739408E-01
3 318.63398991 0.35672061949
4 139.04844125 0.75846750004
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 78.348734788 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 31.704290663 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.505859269 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.3227423625 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.4969483549 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.6121546085 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.49587158541 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24092138175 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10231739397 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40316301954E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 25360.2156150 0.60531790911E-04
2 5993.7896610 0.53987774437E-03
3 1943.0741755 0.31130456170E-02
4 742.35316156 0.13599674694E-01
5 314.62114597 0.47298958377E-01
6 143.34748044 0.12981487726
7 68.673617552 0.26569982215
8 34.013554117 0.36723195311
9 17.198099621 0.27478356345
10 8.5830329629 0.79256169683E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 236.58209146 -0.12271649354E-02
2 90.576183214 -0.92584627774E-02
3 39.086689301 -0.28428728384E-01
4 9.3084344018 0.21201102192
5 4.6169923084 0.47117589805
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.2653477506 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0800000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47939328581 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19619983845 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.76256339275E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25031496127E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 539.48700124 0.66722955533E-03
2 162.13394435 0.60399330928E-02
3 62.661795641 0.30238666507E-01
4 27.077272889 0.99267892065E-01
5 12.483003929 0.22358036310
6 5.8864623136 0.33574682762
7 2.7519131105 0.34554856483
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2500769617 0.21216654622
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.51172841843 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65822945067E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.70970000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28400000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57300000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
BROMINE
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 10629044.2640000 0.59322104325E-05
2 1591918.2739000 0.46118980689E-04
3 362333.9843700 0.24244612378E-03
4 102643.1114100 0.10231422748E-02
5 33489.8466680 0.37121984175E-02
6 12091.2471900 0.11978107933E-01
7 4716.1908789 0.34682692842E-01
8 1956.1598080 0.89068331264E-01
9 853.08595848 0.19330124567
10 387.96633666 0.32071144956
11 182.85156613 0.32996797574
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3240.4086421 0.65905194070E-02
2 1000.4631935 0.68439609656E-01
3 383.37301682 0.34495478668
4 166.03929698 0.82315542085
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 87.919906994 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 35.675840068 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.543657842 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.4473660433 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.9666180616 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.8356815987 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59084778776 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28863218421 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12153380537 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47973937210E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 26566.4765790 0.62073657410E-04
2 6290.5088566 0.55131636217E-03
3 2043.3178410 0.31680110980E-02
4 781.67221007 0.13816597290E-01
5 331.51078945 0.48018539681E-01
6 151.09198667 0.13162015183
7 72.395278166 0.26860052203
8 35.869510844 0.36827391093
9 18.139906191 0.27108612944
10 9.0466688944 0.76215338633E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 253.71822146 -0.13729169381E-02
2 97.250818058 -0.10393811185E-01
3 42.034897960 -0.32204214612E-01
4 9.9685673555 0.24224770086
5 4.9395854745 0.53557868398
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.4382845475 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1800000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.51047564965 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21215851928 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.83943604990E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24444628965E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 601.44434484 0.62783723765E-03
2 180.85718640 0.57205157153E-02
3 69.986806340 0.29002521527E-01
4 30.324710300 0.96446989766E-01
5 14.027909238 0.22065825870
6 6.6511702082 0.33657642375
7 3.1354168338 0.34872040582
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4393591843 0.20984536473
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59350441438 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.76665512897E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.82570000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34070000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64910000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
KRYPTON
S 11
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11713823.0080000 0.56915790360E-05
2 1755253.3979000 0.44214471278E-04
3 399717.4192400 0.23227813842E-03
4 113285.7926000 0.97973661050E-03
5 36977.2052930 0.35537627541E-02
6 13355.0365800 0.11468673282E-01
7 5210.9012988 0.33241627469E-01
8 2162.1137020 0.85620725674E-01
9 943.29291023 0.18708766876
10 429.20724331 0.31497583326
11 202.40720840 0.33406191042
basis
2020-01-17 13:57:03 +01:00
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3260.4985521 0.73091509287E-02
2 1011.1069716 0.74040355445E-01
3 392.44359273 0.35414962222
4 173.21702132 0.80188286115
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 96.619988467 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 38.158284867 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.959517570 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.2505996199 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.3486517621 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0380324209 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.69110152540 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33506065143 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14074441124 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.56272458649E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 10
clean up basis sets
2020-10-26 14:52:11 +01:00
1 28609.3357670 0.60526369543E-04
2 6773.1236364 0.53786288403E-03
3 2199.8011079 0.30935356550E-02
4 841.50201590 0.13514318412E-01
5 356.92110288 0.47090086910E-01
6 162.71174351 0.12960370449
7 78.004264994 0.26607435646
8 38.682579997 0.36775851233
9 19.589158685 0.27406903542
10 9.7990863417 0.78773352304E-01
basis
2020-01-17 13:57:03 +01:00
P 5
clean up basis sets
2020-10-26 14:52:11 +01:00
1 261.37786869 -0.16397212361E-02
2 100.09932146 -0.12034797573E-01
3 44.012139363 -0.34891485263E-01
4 10.854010739 0.25212650561
5 5.4351930182 0.57400781830
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.7062805542 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3195633408 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58004455967 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24329976264 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.96823725087E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26906848533E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 665.35057386 0.59588702935E-03
2 200.17995366 0.54594260457E-02
3 77.545085570 0.27980992479E-01
4 33.677854345 0.94119165910E-01
5 15.624928334 0.21825215619
6 7.4427867423 0.33739971242
7 3.5336073535 0.35141418853
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.6363725142 0.20756718931
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.67845684728 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.90067366867E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.95570000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41300000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.73950000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
RUBIDIUM
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.4744618040 0.26999390986
2 6.7296180594 -0.42624989529
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.7822883445 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.53494544647 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22522959349 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.50765580412E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26940281781E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13051395489E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.9998960731 0.54568549670E-01
2 3.2040784712 -0.26447792498
3 0.86991979950 0.50033505958
4 0.44104169728 0.75243449327
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22139898232 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10679039696 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33292658822E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12847003750E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.6530655240 -0.11653388661E-02
2 0.44914033653 0.15584297068
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10089577190 0.48262396029
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27432280711E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.95353625581E-02 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.8524500 1.0000000
basis
2020-01-17 13:57:03 +01:00
STRONTIUM
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11.000000000 -0.26157031021
2 9.9000000000 0.36446668395
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.8771178206 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.63364987829 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28588739731 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.61938540840E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31237518881E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16266139051E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.6233499793 0.71548409039E-01
2 3.6643075442 -0.44232262175
3 0.97809648234 0.55690782709
4 0.77815253363 0.63437348922
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40666316828 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18725455934 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.56304594427E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21826701680E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.3003648126 -0.43567751655E-02
2 0.84876551534 0.13176477946
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29200562252 0.27410245307
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.94733990946E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30479894317E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.9954000 1.0000000
basis
2020-01-17 13:57:03 +01:00
YTTRIUM
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.000000000 -0.27445870024
2 10.800000000 0.37995468727
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.1007372195 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.74155427570 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34176775775 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.79428797018E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.43308336524E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21593224872E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.0336135138 0.73041700172E-01
2 4.0181723477 -0.41610436192
3 1.1052105890 0.55451897342
4 0.83219316692 0.62307196069
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44762676666 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20523347112 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.55045561759E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22603027453E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.755105347 0.23830583863E-02
2 3.9629908552 -0.25068021047E-01
3 1.3427449755 0.22348991872
4 0.62579248108 0.55237929771
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27632363958 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11706987754 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.46601501035E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7629100 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2651500 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0921500 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1114900 1.0000000
basis
2020-01-17 13:57:03 +01:00
ZIRCONIUM
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.000000000 0.30219052022
2 11.750000000 -0.41145056914
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.3679085035 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.83813257389 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.39094081796 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12165103956 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68995924030E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28131941438E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.6639962104 0.73773984271E-01
2 4.4109566148 -0.40022747074
3 1.2360133871 0.54947233625
4 0.87445820593 0.61937721413
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47713887642 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21764845261 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57837163627E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20242456645E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.106535710 0.29285547494E-02
2 5.0597471810 -0.19680100129E-01
3 1.4340490314 0.24763912308
4 0.65933129072 0.53572735030
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28894952351 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12160731860 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48470078407E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1417100 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3926100 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1350100 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2898900 1.0000000
basis
2020-01-17 13:57:03 +01:00
NIOBIUM
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.500000000 -0.32410606901
2 12.200000000 0.44773333772
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.7169274051 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.90652488058 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41577606051 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11042511303 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.62821821279E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28016289999E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.3098091725 0.73705483583E-01
2 4.8178682975 -0.38234456657
3 1.3632838380 0.54987821838
4 0.90647526151 0.61931035808
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.50089563075 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22793279437 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20600000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.364404474 0.26413526976E-02
2 5.3680385855 -0.20806369564E-01
3 1.6586089067 0.24555637053
4 0.78121461396 0.53651499644
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34874234803 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14844540532 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59334919015E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5360500 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5227000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1778700 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4682900 1.0000000
basis
2020-01-17 13:57:03 +01:00
MOLYBDENUM
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.000000000 0.57082903143E-01
2 13.500000000 -0.66824799324
3 12.571764111 0.75521146249
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.1304342348 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.96478113331 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.43736648981 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11318605514 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57579423658E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27018151462E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.1087343439 0.10192125262
2 5.3495476626 -0.38460279534
3 1.4870196599 0.53457134734
4 0.90585473836 0.61724117143
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.50141240214 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23286318145 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.62000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.215377137 0.30147475909E-02
2 5.8496916871 -0.28923836319E-01
3 1.8232967249 0.25398642015
4 0.86970233105 0.52725603860
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.39461697588 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17084141240 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.69272819629E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.9462500 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6554500 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2207400 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6467000 1.0000000
basis
2020-01-17 13:57:03 +01:00
TECHNETIUM
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.000000000 -0.31349221639
2 13.500000000 0.44793618799
3 7.1022525122 0.20051786822E-01
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.4415995038 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0660127848 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48568559673 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12654965451 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66997954399E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29822104753E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 10.298029968 0.83867175334E-01
2 5.7213792785 -0.36246957884
3 1.6296063991 0.53649463822
4 0.97528623230 0.61837212480
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.53997625690 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25172025379 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21500000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.617708386 0.27056783609E-02
2 5.8369803972 -0.35968645824E-01
3 2.0921979438 0.21334851537
4 1.0148117201 0.45713971996
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.46154215497 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19795071041 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.78619872304E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.3724000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7908000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2636000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.8251000 1.0000000
basis
2020-01-17 13:57:03 +01:00
RUTHENIUM
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.000000000 0.40205707045
2 13.500000000 -0.59417167365
3 7.2130868530 0.12541032854
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.5405901225 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1904973723 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54307531590 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13700563039 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.73396375028E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31250715458E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11.388100061 0.55871461629E-01
2 6.1591005666 -0.25808446847
3 1.7320431063 0.42924265341
4 1.0194857402 0.43313353048
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58131419111 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27290530268 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.598247778 0.31556859652E-02
2 6.7883773752 -0.34551060293E-01
3 2.2470797667 0.21708566158
4 1.0884195428 0.42834135307
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.49787892886 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21481968266 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.85666751170E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.8246600 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.9431400 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3149100 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0093000 1.0000000
basis
2020-01-17 13:57:03 +01:00
RHODIUM
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.000000000 0.50258059140
2 13.500000000 -0.76433277918
3 7.4051116103 0.31145290674
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.5131696431 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3235977422 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60954144541 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18907192773 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.89080450794E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34131567514E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11.839425278 0.59787418531E-01
2 6.6953652636 -0.24743454054
3 1.8333616287 0.42987003231
4 1.0267931770 0.42547313311
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58071767020 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27907753269 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.67108954625E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22101542156E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 26.341167176 0.20623159685E-02
2 7.8709462705 -0.17239329053E-01
3 2.5989970939 0.17284839402
4 1.2613435752 0.36282102279
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57578407979 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24725174897 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.97531210324E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.2739100 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0949900 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3662300 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1935000 1.0000000
basis
2020-01-17 13:57:03 +01:00
PALLADIUM
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.262399331 0.44145727454
2 13.721983176 -0.70293005979
3 4.8448286268 0.36095390108
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.7309326588 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4357564094 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66088433720 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20897212790 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.91936735872E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34733479706E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.585237008 0.60002003747E-01
2 7.2058104839 -0.24022183118
3 1.9558705640 0.43424940067
4 1.0534418618 0.42084436088
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59809389552 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30362411297 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.88000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 28.840985892 0.21131470308E-02
2 8.4584163440 -0.17913194955E-01
3 2.8648941754 0.17165507663
4 1.3966488847 0.36149251150
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.63921677230 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27502319836 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10829940074 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.7200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2462900 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4175400 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3777000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SILVER
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 256.50898381 0.73215128094E-03
2 19.000000000 -0.14706983774
3 14.129749737 0.47914881797
4 9.4840599768 -0.26930801705
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.5812682897 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4763753299 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66184584335 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15382171742 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.79534248689E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32408624506E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.350389537 0.62479151672E-01
2 7.7163302467 -0.24398688175
3 2.0864535219 0.45439758415
4 1.0577805733 0.47607485340
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52564427657 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23694908895 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66457980332E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21864839286E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 32.147961274 0.34564677092E-02
2 9.0323725307 -0.28135297216E-01
3 3.1673540854 0.26999486025
4 1.5519381135 0.57666767772
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.71310284000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30749741551 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12094304210 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.1631100 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3971100 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4688600 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5619000 1.0000000
basis
2020-01-17 13:57:03 +01:00
CADMIUM
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 269.30016289 0.62688949336E-03
2 18.554269093 -0.43456616075
3 16.729943183 0.66043072415
4 11.768546646 -0.11793513277
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.1816604427 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5775743989 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.71857981187 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16433138409 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.76794158768E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34377199848E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.107678180 0.70307291426E-01
2 8.2750040714 -0.26474818030
3 2.2507338323 0.47494851120
4 1.1914970238 0.46327020832
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66041257699 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33804403770 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.96004037879E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33681030012E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 35.689192548 0.44455913982E-02
2 9.3407971610 -0.39185351747E-01
3 3.5922659140 0.31235972097
4 1.7980676976 0.71163739606
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.84830057791 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37846492753 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15420101631 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.7689900 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5981300 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5355500 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7896000 1.0000000
basis
2020-01-17 13:57:03 +01:00
INDIUM
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8931.8400000 0.19000000000E-04
2 1352.2200000 0.13100000000E-03
3 303.39300000 0.47800000000E-03
4 45.122900000 0.11708000000E-01
5 28.182200000 -0.87330000000E-01
6 17.604800000 0.25957700000
7 6.9405800000 -0.62847100000
8 4.3337700000 -0.15871800000
9 1.9868400000 0.67440400000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 20.245544208 0.29650296199E-01
2 11.072298416 -0.14745372687
3 2.4929238916 0.53232061960
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0438672413 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.53244484157 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21211307407 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.95475196519E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.42357644919E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18349388883E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 129.23300000 0.27900000000E-03
2 29.628400000 -0.61710000000E-02
3 18.521100000 0.46912000000E-01
4 8.2853600000 -0.23990400000
5 2.4993900000 0.42981100000
6 1.3221600000 0.48610100000
7 0.68870700000 0.22203700000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.248633034 -0.18203004609E-01
2 3.0240161259 0.31476939453
3 1.0805448379 0.71919648136
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33353581509 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15403760449 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65770424632E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27642180293E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 131.81131820 0.22281463414E-03
2 37.030875816 0.19331306797E-02
3 11.378665218 -0.17870304080E-01
4 6.4488212086 0.22953424346E-01
5 3.4878752216 0.17536747821
6 1.9912337572 0.29288830616
7 1.1306610212 0.31018960851
8 0.63074842914 0.24247651565
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33856463907 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17026198815 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.69200000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26760246554E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.1949600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3983200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.392100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.156000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.341900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
TIN
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11606.9000000 0.29000000000E-04
2 1754.8000000 0.20600000000E-03
3 397.17800000 0.80700000000E-03
4 90.299000000 0.24710000000E-02
5 31.489000000 -0.40025000000E-01
6 19.668500000 0.16315200000
7 7.0675900000 -0.55698300000
8 4.4149000000 -0.16993200000
9 2.1635600000 0.65102800000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 20.197961274 0.22393937317E-01
2 10.880108426 -0.14330764814
3 2.7745387028 0.53278527074
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1440977736 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58550056279 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25317089836 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11599461634 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52233584109E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24028839891E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 195.49500000 0.25800000000E-03
2 18.256300000 0.44341000000E-01
3 11.409400000 -0.10914200000
4 6.9056700000 -0.13860600000
5 2.9820600000 0.34374300000
6 1.6084300000 0.51827100000
7 0.83176700000 0.27870600000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.304065745 -0.20694775410E-01
2 3.4193503621 0.33654593033
3 1.2382899573 0.71397757129
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.39265300321 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19313059747 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.86443518729E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37350684674E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 143.82134199 0.26165602862E-03
2 41.039940764 0.21562117321E-02
3 11.508999207 -0.24771286642E-01
4 8.4312612820 0.29022163379E-01
5 4.0180001346 0.16171344601
6 2.3122021836 0.29213521578
7 1.3168562511 0.32241037254
8 0.73729126651 0.24629433031
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40109472811 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20593354535 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.86600000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35066313113E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.7988893935 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5915400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.431500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.177200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.377400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ANTIMONY
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12339.3165550 0.38545231046E-04
2 1854.7043271 0.27702166404E-03
3 418.44441772 0.11161923778E-02
4 96.965111109 0.28828055377E-02
5 28.537960267 -0.60556405021E-01
6 17.862907144 0.27988835315
7 8.4541754812 -0.54748479396
8 5.2813981306 -0.30336289748
9 2.3194618632 0.68093278701
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 25.336266601 0.22414355064E-01
2 12.477043309 -0.14737811818
3 3.0723142741 0.53278468779
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2167512076 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60174774699 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28323936354 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13221765728 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60986718951E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29538557139E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 162.89300000 0.37500000000E-03
2 30.399600000 -0.47980000000E-02
3 19.000400000 0.54731000000E-01
4 9.3225600000 -0.25528400000
5 3.0166800000 0.34537700000
6 1.8621900000 0.40483300000
7 1.1033100000 0.32592200000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.665326113 -0.20694788562E-01
2 3.3473442879 0.26878411014
3 1.1722158971 0.72590523998
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58886745483 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25014249608 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11120161090 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48206685448E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 142.61790051 0.34691704136E-03
2 40.920334292 0.27417583490E-02
3 10.854520545 -0.33847404142E-01
4 8.3926457719 0.42753986065E-01
5 4.1806878019 0.16545099365
6 2.5346474124 0.26821979719
7 1.5175455555 0.31482077294
8 0.86799625994 0.25485913704
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47323070711 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24111763234 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10080000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.42644475881E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.6265581363 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7880600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.484900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.204900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.423400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
TELLURIUM
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15746.3000000 0.54000000000E-04
2 2369.2500000 0.39800000000E-03
3 535.86000000 0.16620000000E-02
4 141.88500000 0.36360000000E-02
5 27.819700000 -0.58427000000E-01
6 17.387900000 0.36652000000
7 10.865600000 -0.39758900000
8 6.5688500000 -0.51917500000
9 2.4013900000 0.68765200000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 29.383253023 0.30079778033E-01
2 15.946408003 -0.13631630929
3 3.6679902632 0.53467574034
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2865441585 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.63533594694 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29807786206 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14061248688 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65660655893E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30602910356E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 750.22200000 0.52000000000E-04
2 163.96100000 0.41000000000E-03
3 16.922700000 0.83387000000E-01
4 10.575500000 -0.26821200000
5 5.7046200000 -0.22932000000E-01
6 2.9802200000 0.49554800000
7 1.5197000000 0.51452200000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.925457258 -0.21336842159E-01
2 4.2323766654 0.22433961554
3 1.4547630727 0.73198528158
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.75528783692 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31829451168 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13721830923 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57099171462E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18390619948E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 146.30727119 0.43816018982E-03
2 42.243859354 0.33559305599E-02
3 9.9155377745 -0.11157186771
4 8.9949643607 0.13269569633
5 4.1376628430 0.21574044755
6 2.3659339431 0.32583679541
7 1.3736141857 0.30685918052
8 0.79846379228 0.19445241192
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.45685175394 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25022747959 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11560000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.46388906345E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.8043400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.9347800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.518400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.213500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.429400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
IODINE
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 16788.4000000 0.41000000000E-04
2 2526.6400000 0.30300000000E-03
3 571.98400000 0.12470000000E-02
4 150.43400000 0.26590000000E-02
5 29.540500000 -0.53190000000E-01
6 18.457100000 0.34009600000
7 11.528600000 -0.35235500000
8 7.0828900000 -0.54138500000
9 2.5040500000 0.71574900000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 25.058617933 0.40897754402E-01
2 15.621979372 -0.14269668187
3 3.3536325162 0.52916319279
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3540144781 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.67430472704 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32727136949 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15749364119 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.74377727841E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35555048604E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 656.27400000 0.91000000000E-04
2 149.23200000 0.61300000000E-03
3 19.015300000 0.59923000000E-01
4 10.737800000 -0.24925800000
5 6.4420800000 -0.43750000000E-02
6 3.0920300000 0.51399900000
7 1.5787400000 0.50721300000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.660511893 -0.22143803592E-01
2 4.9250669812 0.23518064355
3 1.6692319982 0.73153925548
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.77817898176 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35608843716 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15493242649 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64666212492E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18667676825E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 318.22407776 0.10951692560E-03
2 95.810227352 0.91919139268E-03
3 35.322295259 0.47916935207E-02
4 13.107447819 -0.16280459996E-01
5 6.2949152988 0.90889609141E-01
6 3.6826101201 0.27483543784
7 2.0858950647 0.36067901632
8 1.1644342344 0.28384002219
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.63180613129 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32215084697 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13490000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54429373911E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.4253613600 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1780000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.587800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.250000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.473900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
XENON
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18774.3000000 0.68000000000E-04
2 2824.8100000 0.50100000000E-03
3 640.08800000 0.20970000000E-02
4 172.61600000 0.44930000000E-02
5 29.516900000 -0.47151000000E-01
6 18.444800000 0.37403300000
7 11.523800000 -0.51282600000
8 6.6189000000 -0.47862400000
9 2.9955200000 0.59647100000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 27.052171835 0.11189611954
2 20.940622415 -0.24055422724
3 6.0024591071 0.51452076187
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.6532586536 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.87553889270 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41033616654 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19493585779 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.90171093041E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.42287348590E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 613.33100000 0.13800000000E-03
2 141.71000000 0.85300000000E-03
3 20.310600000 0.55024000000E-01
4 11.033100000 -0.25298800000
5 6.8951300000 0.97460000000E-02
6 3.2416600000 0.52679700000
7 1.6653500000 0.50183200000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.388908413 -0.24514446229E-01
2 6.1139045431 0.25265669670
3 1.8729815691 0.72938328969
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.82004665991 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.39552648254 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17445509815 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.73389992663E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19994004440E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 315.66106865 0.14235585191E-03
2 95.553873651 0.11707875751E-02
3 35.451236301 0.58783160362E-02
4 13.153211283 -0.16764226287E-01
5 6.3847329564 0.11558421625
6 3.6968166410 0.30375919653
7 2.0976070364 0.36037726827
8 1.1951246616 0.24813434400
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68431725339 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37710480204 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16760000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.65304298484E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.2077391789 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.4323000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.661900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.297900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.527800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
CESIUM
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.8684829520 0.12906631816
2 4.3741038860 -0.34380446158
3 1.7951201473 0.69937346606
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37816941125 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16624693130 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27763176052E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16113005842E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10996108743E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.2749775718 0.45595316685E-01
2 1.9639316240 -0.25031125651
3 0.47666322385 0.55660114378
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21736718772 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.97276293828E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26770518041E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10845412222E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0091044335 -0.34453182058E-02
2 0.35778351451 0.22686596025
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11070568254 0.47180885981
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33216214821E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11409380652E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5877700 1.0000000
basis
2020-01-17 13:57:03 +01:00
BARIUM
S 2
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.7000000000 1.3292982002
2 5.2043612469 -1.7367497134
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1475437282 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41033660537 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18393532770 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.72521216545E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34526334903E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16157891872E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.6000000000 0.51385026013
2 5.1104879274 -0.70529238864
3 2.5006544803 0.42822329830
4 0.51947995345 -0.57125984472
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24536994841 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11256056700 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34917622027E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16320065666E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.7000000000 .14372069823827
2 2.3460740881 -.19565347309413
3 0.39553542609 .29963058551591
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12967935859 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.40463066544E-01 1.0000000
F 4
1 10.00 0.073
2 3.20 0.210
3 1.00 0.350
4 0.32 0.360
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 .08788 1.0000000
G 1
1 .5 1.0000000
basis
2020-01-17 13:57:03 +01:00
LANTHANUM
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 26.077272000 0.23198684846E-02
2 5.7127838000 -0.29787719611
3 4.4057848000 0.70022722515
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1315325829 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.49385808956 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23595687888 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.63593489661E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31545394754E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15777655296E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.0000000000 -0.11397960924E-01
2 3.6808191615 0.14675038550
3 2.3265462081 -0.35581819167
4 0.64342629633 0.45834955229
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33584281962 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16519051916 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.56715971797E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.22100824776E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2000000000 -0.35803482414
2 1.0239524401 0.40483734122
3 0.37508490282 0.37649639849
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17161940245 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.78780423402E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35000047794E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6558000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2568300 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1005800 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1790700 1.0000000
basis
2020-01-17 13:57:03 +01:00
HAFNIUM
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 24.000000000 0.19369448644
2 16.000000000 -3.5064630782
3 14.400000000 4.3082581000
4 10.304504667 -0.91045809742
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.8372797792 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.94649028050 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44397931299 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13656009445 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66549732509E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28719110054E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.000000000 -0.30316491880E-01
2 11.738072097 0.10139279686
3 4.9203967161 -0.28227924657
4 1.1251726138 0.52032008501
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.54220114055 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25659447877 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10000000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41700000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20187520429E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.9644775309 0.90606952386E-01
2 5.7275227587 -0.16459899714
3 1.1503305416 0.51375718250
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47559482991 0.97807169690
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18774414759 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68439488104E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.8038700 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3154700 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1238000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2903600 1.0000000
basis
2020-01-17 13:57:03 +01:00
TANTALUM
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 24.473650944 0.20537515818
2 18.721372549 -0.74477445680
3 11.500000000 3.4067771001
4 10.350000000 -2.8222400335
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.8125414615 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0507430630 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.49732275755 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15602650970 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.75056442354E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31632668803E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.000000000 -0.32577305616E-01
2 12.008186536 0.10336287365
3 5.0278760583 -0.28526521696
4 1.1937124184 0.51790141155
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57889707053 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27225198801 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10000000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41700000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20413673674E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.1419762952 0.88606814221E-01
2 5.7696869171 -0.17156962221
3 1.2199483941 0.53547693505
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52366034246 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21384808767 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.80254256735E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.9507000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3738600 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1470200 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4016500 1.0000000
basis
2020-01-17 13:57:03 +01:00
TUNGSTEN
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 22.106487883 0.66320504570
2 18.958062620 -1.5576189160
3 13.128699049 2.1416485467
4 10.149417378 -1.1823364947
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.0160322414 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1234496158 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.53500662821 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17127449658 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.80452897876E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33669872229E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.000000000 -0.37817768433E-01
2 12.431973432 0.10905673845
3 5.1586217658 -0.29399955020
4 1.2801454812 0.51560726697
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.62856790898 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29380423553 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10000000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41700000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20637836728E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.4064737315 0.86993963018E-01
2 5.9026268603 -0.17667540011
3 1.2984756750 0.55145697030
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.57153508541 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23845526606 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.91144267331E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0962400 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4319900 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1702300 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5129300 1.0000000
basis
2020-01-17 13:57:03 +01:00
RHENIUM
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 24.000000000 0.26968047163
2 18.204262749 -1.3559378623
3 14.048192487 1.9003709759
4 9.5166786954 -0.75626964015
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.1714667981 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1944213976 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.56755447797 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17533854868 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.82014250464E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34607892740E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.000000000 -0.26890962397E-01
2 12.318606250 0.99711498502E-01
3 5.3719234505 -0.29289398145
4 1.3506646748 0.51466301434
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66212816808 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31071385193 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10800000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.45000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21930251666E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.7352877672 0.83901798556E-01
2 6.0949443610 -0.17722258734
3 1.3871105497 0.55238259692
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.62324027854 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26517328547 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10321096849 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2406000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4898900 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1934500 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6242200 1.0000000
basis
2020-01-17 13:57:03 +01:00
OSMIUM
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 24.000000000 0.24559132972
2 18.204262749 -1.3020204925
3 14.048192487 1.9114896000
4 9.5166786954 -0.83098846799
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.2529406042 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2999583502 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.61756850127 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18785305474 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.87865523960E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37004242944E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.500000000 0.16016463376
2 14.000000000 -0.23201520402
3 5.5458290420 0.29772587274
4 1.4139502215 -0.54253238176
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68136686765 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30911452647 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.90000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.5557226523 0.55081304746E-01
2 6.1927250845 -0.15041777374
3 1.4916733698 0.55087247584
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.67423241512 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28635737076 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11074292707 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3802600 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5506500 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2196800 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7548900 1.0000000
basis
2020-01-17 13:57:03 +01:00
IRIDIUM
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 23.465507222 0.71085679679
2 20.657091116 -1.5723547785
3 15.725107858 1.2938086001
4 7.9297463605 -0.42980466966
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.5196120103 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3392891402 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.63692276928 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19126770642 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.87881999015E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37643105533E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.902664143 -0.16290720099
2 14.415830698 0.23483212987
3 5.7597608991 -0.30305337176
4 1.5008913108 0.55512982069
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.72348035957 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32785980328 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.91000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.9686781612 0.29754685954E-01
2 6.4456319498 -0.82246052942E-01
3 1.5835819740 0.29212392062
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.71871917882 0.45371657855
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30539233284 0.35080208829
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11791405498 0.12106264000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5134800 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6100800 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2459200 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.8855600 1.0000000
basis
2020-01-17 13:57:03 +01:00
PLATINUM
S 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 23.465507222 0.55150926143
2 20.657091116 -1.2690274107
3 15.725107858 1.1215145470
4 7.9297463605 -0.42250178029
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.6667116243 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4202522633 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.66786671541 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19745059689 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.92573920368E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.38895936899E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.500000000 -0.15672718629
2 14.000000000 0.23853412989
3 6.1161212339 -0.31041379733
4 1.5715586385 0.56473525089
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.75132510781 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33306466812 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.91000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.3207937611 0.62945508668E-01
2 7.4207226520 -0.90271154330E-01
3 1.6570410639 0.16812340903
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.73943569960 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.30508290090 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11350435924 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.6402500 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6681300 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2721500 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0162300 1.0000000
basis
2020-01-17 13:57:03 +01:00
GOLD
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 24.200000000 1.4645004443
2 22.000000000 -3.9770190496
3 20.000000000 2.7298033533
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.4043553001 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4532546773 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.68294298420 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.19002755303 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.88155981740E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37739555187E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 15.500000000 0.15001711880
2 14.000000000 -0.23609813183
3 6.4227368205 0.31458896948
4 1.6595601681 -0.57279670446
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.79402913993 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.35125155397 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.81000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25000000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.6000000000 0.15361654684
2 7.8531899379 -0.20443530663
3 1.7650856798 0.30781811607
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.79482263260 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33085396360 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12398535801 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7607400 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7248200 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2983800 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1469000 1.0000000
basis
2020-01-17 13:57:03 +01:00
MERCURY
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 48.013786990 0.56241403333E-02
2 21.239875095 -0.17054083503
3 15.876100879 0.35940389661
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.4865939429 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5521766895 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.74742541187 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20268838483 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.93376229211E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41248705609E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.500000000 -0.86457187331E-01
2 15.252594855 0.15327318234
3 6.4404715169 -0.30274955249
4 1.8180159920 0.54361285026
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.90067981801 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.41304540122 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11845702655 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.36087619349E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 4
clean up basis sets
2020-10-26 14:52:11 +01:00
1 11.888648987 0.13311219898E-01
2 6.7773660954 -0.73346199848E-01
3 2.0934941340 0.24155986719
4 1.0817087176 0.38865972362
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.53329136060 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24984101827 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10879770063 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.8893800 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7956900 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3351000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2895000 1.0000000
basis
2020-01-17 13:57:03 +01:00
THALLIUM
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9675.5500000 0.80000000000E-05
2 1471.4800000 0.57000000000E-04
3 323.64800000 0.22700000000E-03
4 33.807900000 0.21666000000E-01
5 21.131600000 -0.19589700000
6 13.209100000 0.67362000000
7 8.2561100000 -0.57167600000
8 5.1001400000 -0.61234400000
9 1.8194300000 0.75954400000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.432924081 0.16050252545
2 11.126956705 -0.25827112953
3 2.0351129325 0.52570088358
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.96804610176 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47288027019 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.21703241765 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.99551664344E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44674475181E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.18183458197E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 42.524000000 0.16050000000E-02
2 21.395700000 -0.23159000000E-01
3 13.373700000 0.11173800000
4 6.6133700000 -0.34647200000
5 2.0421700000 0.47507300000
6 1.1144900000 0.48633500000
7 0.59800600000 0.20513900000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.0557032031 -0.57376712693E-01
2 3.9424773914 0.27305802340
3 1.2382159385 0.72255078460
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29943260745 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14250182360 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.61655072518E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26054870511E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 63.792149375 0.19539028558E-03
2 10.854099697 0.17775848298E-01
3 6.3885280565 -0.89213657526E-01
4 2.4120875010 0.18424406191
5 1.4246170706 0.30659722011
6 0.83496548780 0.31018961556
7 0.48634320397 0.23215648111
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.27592111650 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.14737244064 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.67700000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25846985048E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.3083704534 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0848100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.426300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.169000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.369300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
LEAD
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9368.3300000 0.14000000000E-04
2 1366.9300000 0.10300000000E-03
3 299.68200000 0.37900000000E-03
4 34.859700000 0.23274000000E-01
5 21.788900000 -0.20343600000
6 13.620000000 0.69921400000
7 8.5129500000 -0.60684100000
8 5.3033200000 -0.61139200000
9 1.9281600000 0.76522700000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.559944213 0.15955164155
2 11.039620045 -0.26750615828
3 2.1371722788 0.52500552105
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0373400312 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.51111685694 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24673987563 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11577976738 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52874167812E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23675714798E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 59.090100000 0.71600000000E-03
2 20.919700000 -0.21082000000E-01
3 13.077700000 0.12706100000
4 6.8991000000 -0.37228400000
5 2.1962700000 0.43566300000
6 1.3048600000 0.43573500000
7 0.77957200000 0.26094700000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.1373183134 -0.55319030476E-01
2 3.9570574249 0.27275707058
3 1.2246639098 0.72280340692
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.42601564238 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.20378586294 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.88168647885E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.37094701422E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 66.348248961 0.28507140251E-03
2 13.455899798 0.93352787747E-02
3 6.5510273149 -0.75354763534E-01
4 2.6574136949 0.16674578725
5 1.6001278005 0.31208757936
6 0.93304454981 0.32900401823
7 0.54391365526 0.22655044022
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.32059545270 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.17922304239 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.83200000000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33713194518E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.5184938758 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1606000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.441300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.178200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.388100000 1.0000000
basis
2020-01-17 13:57:03 +01:00
BISMUTH
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8131.0900000 0.29000000000E-04
2 1225.7700000 0.20000000000E-03
3 274.67200000 0.68400000000E-03
4 37.616400000 0.20218000000E-01
5 23.480400000 -0.15932600000
6 14.106500000 0.61172600000
7 8.8130500000 -0.54465300000
8 5.5077800000 -0.63688400000
9 2.0397700000 0.77169800000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.614284474 0.15800789319
2 11.010881766 -0.27164962692
3 2.2630089550 0.52469330212
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0975227257 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52344449532 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26734409206 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12836608814 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60097735551E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28937639233E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 99.591400000 0.34600000000E-03
2 19.896400000 -0.19976000000E-01
3 12.437600000 0.17544600000
4 7.7740000000 -0.37955600000
5 4.8399500000 -0.55262000000E-01
6 2.2547800000 0.52888400000
7 1.1804900000 0.52132400000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.6213214965 -0.52920356623E-01
2 4.1321350830 0.26705180214
3 1.2785827783 0.72824686940
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59423596262 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.25794168858 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11273595358 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.47791974731E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 69.632799181 0.35055800732E-03
2 14.888614968 0.81591735697E-02
3 6.5949628713 -0.83905319526E-01
4 4.1796107640 0.28034212952E-01
5 2.5697950152 0.20202314185
6 1.5601364822 0.33621249652
7 0.89210528768 0.34629017140
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48093728228 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24233621968 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10440000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.42820432734E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.7210175470 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2625600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.480300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.200600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.420300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
POLONIUM
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8913.2900000 0.47000000000E-04
2 1338.9800000 0.33100000000E-03
3 299.53800000 0.11610000000E-02
4 51.148900000 0.78990000000E-02
5 23.015600000 -0.14934700000
6 14.376500000 0.63824200000
7 8.9827900000 -0.61708300000
8 5.6129200000 -0.60519700000
9 2.1648400000 0.77608600000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.787766907 0.15929033129
2 11.958781204 -0.27310166985
3 2.4798455066 0.52423698726
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1753800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.55481477792 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28581735198 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13849439468 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64954523837E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.29031304745E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 113.55700000 0.38700000000E-03
2 20.363900000 -0.18255000000E-01
3 12.727400000 0.17477600000
4 7.9498400000 -0.39870300000
5 4.9647700000 -0.31812000000E-01
6 2.3013000000 0.56604700000
7 1.1954500000 0.51022200000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.4681300000 -0.23853762000
2 7.7962017000 0.28579119000
3 0.66871758000 0.46050656000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59152423927 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24444843795 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11018922460 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.48149776000E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16630967796E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 73.649818245 0.43310334585847E-03
2 16.743441686 0.69436968591148E-02
3 5.8163048812 -0.83799240387068
4 5.6493757173 0.79372183416095
5 2.4547686106 0.29055549251205
6 1.3909015593 0.38177920669704
7 0.78934505572 0.29342954207529
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44107648549 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.23631248810 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.10930000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.43600758103E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.8220658714 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3122000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.489400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.200200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.407400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ASTATINE
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9090.2800000 0.35000000000E-04
2 1373.0700000 0.24200000000E-03
3 307.95000000 0.81500000000E-03
4 48.017600000 0.84650000000E-02
5 23.909900000 -0.14733300000
6 14.933400000 0.63241500000
7 9.3317100000 -0.61640600000
8 5.8320600000 -0.61925800000
9 2.2878700000 0.78512400000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.805780876 0.15771473639
2 11.855783628 -0.28007490839
3 2.5818782360 0.52359428906
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2537238008 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.61460691976 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.31486716636 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15441669153 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.72866424566E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33450798374E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 124.60200000 0.46800000000E-03
2 20.889900000 -0.16124000000E-01
3 13.058500000 0.17119600000
4 8.1606100000 -0.40887500000
5 5.0980800000 -0.16407000000E-01
6 2.3787600000 0.58817200000
7 1.2375500000 0.50099700000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.7977584321 -0.23832810213
2 8.0996431502 0.28585830834
3 0.67629719775 0.46050935965
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.60785017930 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.26116561417 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.11948611257 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.52899086095E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15692454478E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 76.152584155 0.54645145370E-03
2 17.982092186 0.70498116717E-02
3 5.8900316564 -0.59711331046
4 5.6001503121 0.56517203927
5 2.4782622062 0.32344318344
6 1.3928750256 0.39511263456
7 0.78560551382 0.27094838862
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.44173978741 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.24984733563 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.12700000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.50459262594E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.0086421207 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4237200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.538900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.228700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.436300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
RADON
S 9
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12715.6000000 0.47000000000E-04
2 1913.3000000 0.33800000000E-03
3 429.95600000 0.12800000000E-02
4 100.97800000 0.27820000000E-02
5 24.470800000 -0.10042100000
6 15.292200000 0.53982400000
7 9.5548300000 -0.57385600000
8 5.9666100000 -0.61000000000
9 2.3893900000 0.79325300000
basis
2020-01-17 13:57:03 +01:00
S 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 17.195195341 0.16333005101
2 14.230303720 -0.27167744770
3 3.0760339153 0.52372666490
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3276477516 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.69973866760 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.33174234887 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.16093431878 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.75883596172E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.36702167935E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 7
clean up basis sets
2020-10-26 14:52:11 +01:00
1 131.70800000 0.58500000000E-03
2 21.401600000 -0.14438000000E-01
3 13.382600000 0.17009500000
4 8.3688000000 -0.42250400000
5 5.2294500000 -0.17190000000E-02
6 2.4768500000 0.60115800000
7 1.3018000000 0.49278000000
basis
2020-01-17 13:57:03 +01:00
P 3
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.0768547920 -0.23950411879
2 8.3822367043 0.28554010268
3 0.70618692299 0.46017587936
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.64553860374 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.28380500916 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.13160518578 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.58958259826E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15768923099E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 8
clean up basis sets
2020-10-26 14:52:11 +01:00
1 183.73000000 0.12900000000E-03
2 54.689700000 0.94900000000E-03
3 16.425500000 0.10100000000E-01
4 7.3050000000 -0.87309000000E-01
5 4.2747700000 0.71452000000E-01
6 2.6114200000 0.29537800000
7 1.5667400000 0.35873100000
8 0.96097900000 0.25612000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59653500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.34202800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.15160000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.59685507179E-01 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.2498641894 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5556400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.594000000 1.0000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.268400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.476300000 1.0000000
$END
basis
2020-01-17 13:57:03 +01:00
clean up basis sets
2020-10-26 14:52:11 +01:00
$ECP
RB-ECP GEN 28 3
1 ----- f-ul potential -----
-12.3169000 2 3.8431140
3 ----- s-f potential -----
89.5001980 2 5.0365510
0.4937610 2 1.9708490
12.3169000 2 3.8431140
3 ----- p-f potential -----
58.5689740 2 4.2583410
0.4317910 2 1.4707090
12.3169000 2 3.8431140
3 ----- d-f potential -----
26.2248980 2 3.0231270
0.9628390 2 0.6503830
12.3169000 2 3.8431140
SR-ECP GEN 28 3
1 ----- f-ul potential -----
-15.8059920 2 4.6339750
3 ----- s-f potential -----
135.4794300 2 7.4000740
17.5344630 2 3.6063790
15.8059920 2 4.6339750
3 ----- p-f potential -----
88.3597090 2 6.4848680
15.3943720 2 3.2880530
15.8059920 2 4.6339750
3 ----- d-f potential -----
29.8889870 2 4.6228410
6.6594140 2 2.2469040
15.8059920 2 4.6339750
Y-ECP GEN 28 3
2 ----- f-ul potential -----
-19.12219811 2 6.5842120
-2.43637543 2 3.2921060
4 ----- s-f potential -----
135.15384412 2 7.4880494
15.55244130 2 3.7440247
19.12219811 2 6.5842120
2.43637543 2 3.2921060
4 ----- p-f potential -----
87.78499167 2 6.4453772
11.56406599 2 3.2226886
19.12219811 2 6.5842120
2.43637543 2 3.2921060
4 ----- d-f potential -----
29.70100072 2 4.6584472
5.53996847 2 2.3292236
19.12219811 2 6.5842120
2.43637543 2 3.2921060
ZR-ECP GEN 28 3
2 ----- f-ul potential -----
-21.09377605 2 7.5400000
-3.08069427 2 3.7700000
4 ----- s-f potential -----
150.26759106 2 8.2000000
18.97621650 2 4.0897278
21.09377605 2 7.5400000
3.08069427 2 3.7700000
4 ----- p-f potential -----
99.62212372 2 7.1100000
14.16873329 2 3.5967980
21.09377605 2 7.5400000
3.08069427 2 3.7700000
4 ----- d-f potential -----
35.04512355 2 5.3500000
6.11125948 2 2.4918215
21.09377605 2 7.5400000
3.08069427 2 3.7700000
NB-ECP GEN 28 3
2 ----- f-ul potential -----
-22.92954996 2 8.4900000
-3.66630986 2 4.2500000
4 ----- s-f potential -----
165.17914349 2 8.9000000
21.99297437 2 4.4300000
22.92954996 2 8.4900000
3.66630986 2 4.2500000
4 ----- p-f potential -----
111.79441445 2 7.7700000
16.63348326 2 3.9600000
22.92954996 2 8.4900000
3.66630986 2 4.2500000
4 ----- d-f potential -----
38.11224880 2 6.0500000
8.03916727 2 2.8400000
22.92954996 2 8.4900000
3.66630986 2 4.2500000
MO-ECP GEN 28 3
2 ----- f-ul potential -----
-24.80517707 2 9.4500000
-4.15378155 2 4.7200000
4 ----- s-f potential -----
180.10310850 2 9.7145938
24.99722791 2 4.6805004
24.80517707 2 9.4500000
4.15378155 2 4.7200000
4 ----- p-f potential -----
123.77275231 2 8.1421366
19.53022800 2 4.6259863
24.80517707 2 9.4500000
4.15378155 2 4.7200000
4 ----- d-f potential -----
48.37502229 2 6.6184148
8.89205274 2 3.2487516
24.80517707 2 9.4500000
4.15378155 2 4.7200000
TC-ECP GEN 28 3
2 ----- f-ul potential -----
-26.56244747 2 10.4000000
-4.58568054 2 5.2000000
4 ----- s-f potential -----
195.15916591 2 10.4223462
28.09260333 2 5.0365160
26.56244747 2 10.4000000
4.58568054 2 5.2000000
4 ----- p-f potential -----
135.28456622 2 8.9504494
21.80650430 2 4.8544394
26.56244747 2 10.4000000
4.58568054 2 5.2000000
4 ----- d-f potential -----
54.32972942 2 6.9456968
11.15506795 2 3.9705849
26.56244747 2 10.4000000
4.58568054 2 5.2000000
RU-ECP GEN 28 3
2 ----- f-ul potential -----
-28.34061627 2 11.3600000
-4.94462923 2 5.6800000
4 ----- s-f potential -----
209.82297122 2 11.1052693
30.65472642 2 5.4147454
28.34061627 2 11.3600000
4.94462923 2 5.6800000
4 ----- p-f potential -----
146.33618228 2 9.7712707
24.12787723 2 5.0739908
28.34061627 2 11.3600000
4.94462923 2 5.6800000
4 ----- d-f potential -----
67.51589667 2 7.6714231
9.87010415 2 4.1365647
28.34061627 2 11.3600000
4.94462923 2 5.6800000
RH-ECP GEN 28 3
2 ----- f-ul potential -----
-30.09345572 2 12.3100000
-5.21848192 2 6.1600000
4 ----- s-f potential -----
225.34775353 2 11.7200000
32.82318898 2 5.8200000
30.09345572 2 12.3100000
5.21848192 2 6.1600000
4 ----- p-f potential -----
158.70941159 2 10.4200000
26.44410049 2 5.4500000
30.09345572 2 12.3100000
5.21848192 2 6.1600000
4 ----- d-f potential -----
62.75862572 2 8.8200000
10.97871947 2 3.8700000
30.09345572 2 12.3100000
5.21848192 2 6.1600000
PD-ECP GEN 28 3
2 ----- f-ul potential -----
-31.92955431 2 13.2700000
-5.39821694 2 6.6300000
4 ----- s-f potential -----
240.22904033 2 12.4300000
35.17194347 2 6.1707594
31.92955431 2 13.2700000
5.39821694 2 6.6300000
4 ----- p-f potential -----
170.41727605 2 11.0800000
28.47213287 2 5.8295541
31.92955431 2 13.2700000
5.39821694 2 6.6300000
4 ----- d-f potential -----
69.01384488 2 9.5100000
11.75086158 2 4.1397811
31.92955431 2 13.2700000
5.39821694 2 6.6300000
AG-ECP GEN 28 3
2 ----- f-ul potential -----
-33.68992012 2 14.2200000
-5.53112021 2 7.1100000
4 ----- s-f potential -----
255.13936452 2 13.1300000
36.86612154 2 6.5100000
33.68992012 2 14.2200000
5.53112021 2 7.1100000
4 ----- p-f potential -----
182.18186871 2 11.7400000
30.35775148 2 6.2000000
33.68992012 2 14.2200000
5.53112021 2 7.1100000
4 ----- d-f potential -----
73.71926087 2 10.2100000
12.50211712 2 4.3800000
33.68992012 2 14.2200000
5.53112021 2 7.1100000
CD-ECP GEN 28 3
2 ----- f-ul potential -----
-35.47662555 2 15.1847957
-5.61767685 2 7.5923978
4 ----- s-f potential -----
270.00948324 2 13.8358689
38.76730798 2 6.8572704
35.47662555 2 15.1847957
5.61767685 2 7.5923978
4 ----- p-f potential -----
193.82962939 2 12.4049710
31.89652523 2 6.5677995
35.47662555 2 15.1847957
5.61767685 2 7.5923978
4 ----- d-f potential -----
79.19364700 2 10.8969253
13.23082674 2 4.6411649
35.47662555 2 15.1847957
5.61767685 2 7.5923978
IN-ECP GEN 28 3
2 ----- f-ul potential -----
-13.72807800 2 12.53905600
-18.20686600 2 12.55256100
4 ----- s-f potential -----
281.12235000 2 15.39282200
61.90147000 2 8.05586400
13.72807800 2 12.53905600
18.20686600 2 12.55256100
6 ----- p-f potential -----
67.46215400 2 13.92867200
134.94925000 2 13.34723400
14.74614000 2 7.61413200
29.63926200 2 7.31836500
13.72807800 2 12.53905600
18.20686600 2 12.55256100
6 ----- d-f potential -----
35.49325400 2 14.03471500
53.17877300 2 14.51161600
9.17728100 2 5.55055000
12.39241000 2 5.05941500
13.72807800 2 12.53905600
18.20686600 2 12.55256100
SN-ECP GEN 28 3
2 ----- f-ul potential -----
-12.57633300 2 12.28234800
-16.59594400 2 12.27215000
4 ----- s-f potential -----
279.98868200 2 17.42041400
62.37781000 2 7.63115500
12.57633300 2 12.28234800
16.59594400 2 12.27215000
6 ----- p-f potential -----
66.16252300 2 16.13102400
132.17439600 2 15.62807700
16.33941700 2 7.32560800
32.48895900 2 6.94251900
12.57633300 2 12.28234800
16.59594400 2 12.27215000
6 ----- d-f potential -----
36.38744100 2 15.51497600
54.50784100 2 15.18816000
8.69682300 2 5.45602400
12.84020800 2 5.36310500
12.57633300 2 12.28234800
16.59594400 2 12.27215000
SB-ECP GEN 28 3
2 ----- f-ul potential -----
-15.36680100 2 14.44497800
-20.29613800 2 14.44929500
4 ----- s-f potential -----
281.07158100 2 16.33086500
61.71660400 2 8.55654200
15.36680100 2 14.44497800
20.29613800 2 14.44929500
6 ----- p-f potential -----
67.45738000 2 14.47033700
134.93350300 2 13.81619400
14.71634400 2 8.42492400
29.51851200 2 8.09272800
15.36680100 2 14.44497800
20.29613800 2 14.44929500
6 ----- d-f potential -----
35.44781500 2 14.88633100
53.14346600 2 15.14631900
9.17922300 2 5.90826700
13.24025300 2 5.59432200
15.36680100 2 14.44497800
20.29613800 2 14.44929500
TE-ECP GEN 28 3
2 ----- f-ul potential -----
-15.74545000 2 15.20616800
-20.74244800 2 15.20170200
4 ----- s-f potential -----
281.04584300 2 16.81447300
61.62065600 2 8.79352600
15.74545000 2 15.20616800
20.74244800 2 15.20170200
6 ----- p-f potential -----
67.44946400 2 14.87780100
134.90430400 2 14.26973100
14.68954700 2 8.72443500
29.41506300 2 8.29151500
15.74545000 2 15.20616800
20.74244800 2 15.20170200
6 ----- d-f potential -----
35.43205700 2 15.20500800
53.13568700 2 15.22584800
9.06980200 2 6.07176900
13.12230400 2 5.80476000
15.74545000 2 15.20616800
20.74244800 2 15.20170200
I-ECP GEN 28 3
4 ----- f-ul potential -----
-21.84204000 2 19.45860900
-28.46819100 2 19.34926000
-0.24371300 2 4.82376700
-0.32080400 2 4.88431500
7 ----- s-f potential -----
49.99429300 2 40.01583500
281.02531700 2 17.42974700
61.57332600 2 9.00548400
21.84204000 2 19.45860900
28.46819100 2 19.34926000
0.24371300 2 4.82376700
0.32080400 2 4.88431500
8 ----- p-f potential -----
67.44284100 2 15.35546600
134.88113700 2 14.97183300
14.67505100 2 8.96016400
29.37566600 2 8.25909600
21.84204000 2 19.45860900
28.46819100 2 19.34926000
0.24371300 2 4.82376700
0.32080400 2 4.88431500
10 ----- d-f potential -----
35.43952900 2 15.06890800
53.17605700 2 14.55532200
9.06719500 2 6.71864700
13.20693700 2 6.45639300
0.08933500 2 1.19177900
0.05238000 2 1.29115700
21.84204000 2 19.45860900
28.46819100 2 19.34926000
0.24371300 2 4.82376700
0.32080400 2 4.88431500
XE-ECP GEN 28 3
4 ----- f-ul potential -----
-23.08929500 2 20.88155700
-30.07447500 2 20.78344300
-0.28822700 2 5.25338900
-0.38692400 2 5.36118800
7 ----- s-f potential -----
49.99796200 2 40.00518400
281.01330300 2 17.81221400
61.53825500 2 9.30415000
23.08929500 2 20.88155700
30.07447500 2 20.78344300
0.28822700 2 5.25338900
0.38692400 2 5.36118800
8 ----- p-f potential -----
67.43914200 2 15.70177200
134.87471100 2 15.25860800
14.66330000 2 9.29218400
29.35473000 2 8.55900300
23.08929500 2 20.88155700
30.07447500 2 20.78344300
0.28822700 2 5.25338900
0.38692400 2 5.36118800
10 ----- d-f potential -----
35.43690800 2 15.18560000
53.19577200 2 14.28450000
9.04623200 2 7.12188900
13.22368100 2 6.99196300
0.08485300 2 0.62394600
0.04415500 2 0.64728400
23.08929500 2 20.88155700
30.07447500 2 20.78344300
0.28822700 2 5.25338900
0.38692400 2 5.36118800
CS-ECP GEN 46 3
1 ----- f-ul potential -----
-28.8843090 2 3.1232690
3 ----- s-f potential -----
84.5477300 2 4.0797500
16.6541730 2 2.4174060
28.8843090 2 3.1232690
3 ----- p-f potential -----
157.0490590 2 5.5140800
26.4233070 2 2.1603160
28.8843090 2 3.1232690
3 ----- d-f potential -----
13.1727530 2 1.8074100
3.3428330 2 0.8581820
28.8843090 2 3.1232690
BA-ECP GEN 46 3
1 ----- f-ul potential -----
-33.4731740 2 3.5894650
3 ----- s-f potential -----
427.8458160 2 9.5269860
204.4175300 2 4.4875100
33.4731740 2 3.5894650
3 ----- p-f potential -----
293.6058640 2 8.3159300
294.1933160 2 4.2922170
33.4731740 2 3.5894650
3 ----- d-f potential -----
112.5504020 2 5.9161080
181.7826210 2 2.8748420
33.4731740 2 3.5894650
LA-ECP GEN 46 3
1 ----- f-ul potential -----
-36.0100160 2 4.0286000
3 ----- s-f potential -----
91.9321770 2 3.3099000
-3.7887640 2 1.6550000
36.0100160 2 4.0286000
3 ----- p-f potential -----
63.7594860 2 2.8368000
-0.6479580 2 1.4184000
36.0100160 2 4.0286000
3 ----- d-f potential -----
36.1161730 2 2.0213000
0.2191140 2 1.0107000
36.0100160 2 4.0286000
HF-ECP GEN 60 3
1 ----- f-ul potential -----
10.04672251 2 1.78576984
3 ----- s-f potential -----
1499.28471073 2 14.76995900
40.28210136 2 7.38497940
-10.04672251 2 1.78576984
3 ----- p-f potential -----
397.73300533 2 9.84948950
19.31640586 2 4.92474450
-10.04672251 2 1.78576984
3 ----- d-f potential -----
101.32980526 2 6.09675640
5.87343821 2 3.04837820
-10.04672251 2 1.78576984
TA-ECP GEN 60 3
1 ----- f-ul potential -----
12.01796094 2 2.01788111
3 ----- s-f potential -----
1345.88064703 2 14.54640770
36.76680620 2 7.27320380
-12.01796094 2 2.01788111
3 ----- p-f potential -----
378.42530145 2 9.93556529
22.29309086 2 4.96778243
-12.01796094 2 2.01788111
3 ----- d-f potential -----
104.88395571 2 6.34737691
8.75584805 2 3.17368846
-12.01796094 2 2.01788111
W-ECP GEN 60 3
1 ----- f-ul potential -----
14.15257947 2 2.25888846
3 ----- s-f potential -----
1192.39588226 2 14.32285640
32.52293315 2 7.16142810
-14.15257947 2 2.25888846
3 ----- p-f potential -----
359.03196711 2 10.02164110
24.03038019 2 5.01082040
-14.15257947 2 2.25888846
3 ----- d-f potential -----
108.30134897 2 6.59799743
10.98252827 2 3.29899871
-14.15257947 2 2.25888846
RE-ECP GEN 60 3
1 ----- f-ul potential -----
16.44985227 2 2.50865059
3 ----- s-f potential -----
1038.95157226 2 14.09930510
29.56173830 2 7.04965250
-16.44985227 2 2.50865059
3 ----- p-f potential -----
339.54350965 2 10.10771690
24.91369646 2 5.05385830
-16.44985227 2 2.50865059
3 ----- d-f potential -----
111.69965275 2 6.84861794
12.62432927 2 3.42430897
-16.44985227 2 2.50865059
OS-ECP GEN 60 3
1 ----- f-ul potential -----
18.90945701 2 2.76707510
3 ----- s-f potential -----
885.40571914 2 13.87575390
25.96704014 2 6.93787690
-18.90945701 2 2.76707510
3 ----- p-f potential -----
320.08390185 2 10.19379260
26.14876493 2 5.09689620
-18.90945701 2 2.76707510
3 ----- d-f potential -----
115.04484313 2 7.09923846
13.62257457 2 3.54961923
-18.90945701 2 2.76707510
IR-ECP GEN 60 3
1 ----- f-ul potential -----
21.53103107 2 3.03407192
3 ----- s-f potential -----
732.26919978 2 13.65220260
26.48472087 2 6.82610130
-21.53103107 2 3.03407192
3 ----- p-f potential -----
299.48947357 2 10.27986840
26.46623354 2 5.13993410
-21.53103107 2 3.03407192
3 ----- d-f potential -----
124.45759451 2 7.34985897
14.03599518 2 3.67492949
-21.53103107 2 3.03407192
PT-ECP GEN 60 3
1 ----- f-ul potential -----
24.31437573 2 3.30956857
3 ----- s-f potential -----
579.22386092 2 13.42865130
29.66949062 2 6.71432560
-24.31437573 2 3.30956857
3 ----- p-f potential -----
280.86077422 2 10.36594420
26.74538204 2 5.18297210
-24.31437573 2 3.30956857
3 ----- d-f potential -----
120.39644429 2 7.60047949
15.81092058 2 3.80023974
-24.31437573 2 3.30956857
AU-ECP GEN 60 3
2 ----- f-ul potential -----
30.49008890 2 4.78982000
5.17107381 2 2.39491000
4 ----- s-f potential -----
426.84667920 2 13.20510000
37.00708285 2 6.60255000
-30.49008890 2 4.78982000
-5.17107381 2 2.39491000
4 ----- p-f potential -----
261.19958038 2 10.45202000
26.96249604 2 5.22601000
-30.49008890 2 4.78982000
-5.17107381 2 2.39491000
4 ----- d-f potential -----
124.79066561 2 7.85110000
16.30072573 2 3.92555000
-30.49008890 2 4.78982000
-5.17107381 2 2.39491000
HG-ECP GEN 60 3
1 ----- f-ul potential -----
30.36499643 2 3.88579112
3 ----- s-f potential -----
275.73721174 2 12.98154870
49.08921249 2 6.49077440
-30.36499643 2 3.88579112
3 ----- p-f potential -----
241.54007398 2 10.53809580
27.39659081 2 5.26904790
-30.36499643 2 3.88579112
3 ----- d-f potential -----
127.86700761 2 8.10172051
16.60831151 2 4.05086026
-30.36499643 2 3.88579112
TL-ECP GEN 60 3
4 ----- f-ul potential -----
15.82548800 2 5.62639900
21.10402100 2 5.54895200
2.91512700 2 2.87494600
3.89690300 2 2.82145100
6 ----- s-f potential -----
281.28466300 2 12.16780500
62.43425100 2 8.29490900
-15.82548800 2 5.62639900
-21.10402100 2 5.54895200
-2.91512700 2 2.87494600
-3.89690300 2 2.82145100
8 ----- p-f potential -----
4.63340800 2 7.15149200
9.34175600 2 5.17286500
72.29925300 2 9.89107200
144.55803700 2 9.00339100
-15.82548800 2 5.62639900
-21.10402100 2 5.54895200
-2.91512700 2 2.87494600
-3.89690300 2 2.82145100
8 ----- d-f potential -----
35.94303900 2 7.13021800
53.90959300 2 6.92690600
10.38193900 2 5.41757000
15.58382200 2 5.13868100
-15.82548800 2 5.62639900
-21.10402100 2 5.54895200
-2.91512700 2 2.87494600
-3.89690300 2 2.82145100
PB-ECP GEN 60 3
2 ----- f-ul potential -----
12.20989200 2 3.88751200
16.19029100 2 3.81196300
4 ----- s-f potential -----
281.28549900 2 12.29630300
62.52021700 2 8.63263400
-12.20989200 2 3.88751200
-16.19029100 2 3.81196300
6 ----- p-f potential -----
72.27689700 2 10.24179000
144.59108300 2 8.92417600
4.75869300 2 6.58134200
9.94062100 2 6.25540300
-12.20989200 2 3.88751200
-16.19029100 2 3.81196300
6 ----- d-f potential -----
35.84850700 2 7.75433600
53.72434200 2 7.72028100
10.11525600 2 4.97026400
14.83373100 2 4.56378900
-12.20989200 2 3.88751200
-16.19029100 2 3.81196300
BI-ECP GEN 60 3
2 ----- f-ul potential -----
13.71338300 2 4.21454600
18.19430800 2 4.13340000
4 ----- s-f potential -----
283.26422700 2 13.04309000
62.47195900 2 8.22168200
-13.71338300 2 4.21454600
-18.19430800 2 4.13340000
6 ----- p-f potential -----
72.00149900 2 10.46777700
144.00227700 2 9.11890100
5.00794500 2 6.75479100
9.99155000 2 6.25259200
-13.71338300 2 4.21454600
-18.19430800 2 4.13340000
6 ----- d-f potential -----
36.39625900 2 8.08147400
54.59766400 2 7.89059500
9.98429400 2 4.95555600
14.98148500 2 4.70455900
-13.71338300 2 4.21454600
-18.19430800 2 4.13340000
PO-ECP GEN 60 3
4 ----- f-ul potential -----
17.42829500 2 5.01327000
23.38035300 2 4.98464000
0.16339200 2 1.32676000
0.32456600 2 1.52875800
6 ----- s-f potential -----
283.24470600 2 13.27722700
62.39646100 2 8.39951800
-17.42829500 2 5.01327000
-23.38035300 2 4.98464000
-0.16339200 2 1.32676000
-0.32456600 2 1.52875800
8 ----- p-f potential -----
71.99171600 2 10.66568200
143.97187100 2 9.28375300
4.94961500 2 6.87274900
9.74049900 2 6.32615000
-17.42829500 2 5.01327000
-23.38035300 2 4.98464000
-0.16339200 2 1.32676000
-0.32456600 2 1.52875800
8 ----- d-f potential -----
36.37838300 2 8.21486600
54.56271500 2 8.00869600
9.88949900 2 5.05522700
14.69387700 2 4.78255300
-17.42829500 2 5.01327000
-23.38035300 2 4.98464000
-0.16339200 2 1.32676000
-0.32456600 2 1.52875800
AT-ECP GEN 60 3
4 ----- f-ul potential -----
19.87019800 2 5.81216300
26.41645200 2 5.75371500
0.99497000 2 2.51347200
1.49070100 2 2.53626100
7 ----- s-f potential -----
49.95715800 2 30.20083200
283.21037100 2 13.61230600
62.28105200 2 8.52934000
-19.87019800 2 5.81216300
-26.41645200 2 5.75371500
-0.99497000 2 2.51347200
-1.49070100 2 2.53626100
8 ----- p-f potential -----
71.98237100 2 10.85406500
143.90353200 2 9.46822900
4.87175900 2 7.03111400
8.98305900 2 6.14385800
-19.87019800 2 5.81216300
-26.41645200 2 5.75371500
-0.99497000 2 2.51347200
-1.49070100 2 2.53626100
8 ----- d-f potential -----
36.36323700 2 8.31351500
54.54897000 2 7.99896500
9.77628500 2 5.17996600
14.26475500 2 4.94222600
-19.87019800 2 5.81216300
-26.41645200 2 5.75371500
-0.99497000 2 2.51347200
-1.49070100 2 2.53626100
RN-ECP GEN 60 3
4 ----- f-ul potential -----
21.79729000 2 6.34857100
28.94680500 2 6.29594900
1.44736500 2 2.88211800
2.17796400 2 2.90804800
7 ----- s-f potential -----
49.96555100 2 30.15124200
283.07000000 2 14.52124100
62.00287000 2 8.05203800
-21.79729000 2 6.34857100
-28.94680500 2 6.29594900
-1.44736500 2 2.88211800
-2.17796400 2 2.90804800
8 ----- p-f potential -----
71.96911900 2 11.00994200
143.86055900 2 9.61762500
4.71476100 2 7.33600800
9.01306500 2 6.40625300
-21.79729000 2 6.34857100
-28.94680500 2 6.29594900
-1.44736500 2 2.88211800
-2.17796400 2 2.90804800
8 ----- d-f potential -----
36.36836500 2 8.36922000
54.55176100 2 8.11697500
9.63448700 2 5.35365600
14.38790200 2 5.09721200
-21.79729000 2 6.34857100
-28.94680500 2 6.29594900
-1.44736500 2 2.88211800
-2.17796400 2 2.90804800
$END
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