LCPQ/quack
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quack/basis/cc-pwcv5z

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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: cc-pwCV5Z
! Description: 5Z4P Quintuple Zeta + Polarization + Tight Core
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
$DATA
basis
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BORON
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S 14
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11 1.1750000 0.0875210
12 0.4249000 0.0028190
13 0.1712000 0.0000430
14 0.0691300 0.0000780
S 14
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7 30.9800000 -0.0241050
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9 5.6590000 -0.0969430
10 2.5560000 -0.1374850
11 1.1750000 -0.0445650
12 0.4249000 0.3243450
13 0.1712000 0.5704140
14 0.0691300 0.2434440
basis
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S 1
clean up basis sets
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1 63.419 1.000000
basis
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S 1
clean up basis sets
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1 28.595 1.000000
basis
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S 1
clean up basis sets
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1 12.894 1.000000
basis
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S 1
clean up basis sets
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1 5.8140 1.000000
basis
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S 1
clean up basis sets
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1 1.1750000 1.0000000
basis
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S 1
clean up basis sets
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1 0.4249000 1.0000000
basis
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S 1
clean up basis sets
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1 0.1712000 1.0000000
basis
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S 1
clean up basis sets
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1 0.0691300 1.0000000
P 8
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basis
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P 1
clean up basis sets
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1 68.613 1.000000
basis
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P 1
clean up basis sets
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1 26.548 1.000000
basis
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P 1
clean up basis sets
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1 10.272 1.000000
basis
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P 1
clean up basis sets
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1 3.9740 1.000000
basis
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P 1
clean up basis sets
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1 0.7008000 1.0000000
basis
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P 1
clean up basis sets
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1 0.2901000 1.0000000
basis
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P 1
clean up basis sets
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1 0.1211000 1.0000000
basis
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P 1
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1 0.0497300 1.0000000
basis
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D 1
clean up basis sets
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1 43.437 1.000000
basis
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D 1
clean up basis sets
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1 14.671 1.000000
basis
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D 1
clean up basis sets
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1 4.9550 1.000000
basis
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D 1
clean up basis sets
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1 2.0100000 1.0000000
basis
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D 1
clean up basis sets
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1 0.7960000 1.0000000
basis
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D 1
clean up basis sets
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1 0.3160000 1.0000000
basis
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D 1
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1 0.1250000 1.0000000
basis
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F 1
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1 20.450 1.000000
basis
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F 1
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1 4.2920 1.000000
basis
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F 1
clean up basis sets
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1 1.2150000 1.0000000
basis
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F 1
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1 0.5250000 1.0000000
basis
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F 1
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1 0.2270000 1.0000000
basis
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G 1
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1 4.3880 1.000000
basis
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G 1
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1 1.1240000 1.0000000
basis
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G 1
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1 0.4610000 1.0000000
basis
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H 1
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1 0.8340000 1.0000000
basis
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CARBON
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S 14
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S 14
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basis
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S 1
clean up basis sets
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1 83.731 1.000000
basis
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S 1
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1 38.226 1.000000
basis
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S 1
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1 17.452 1.000000
basis
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S 1
clean up basis sets
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1 7.9670 1.000000
basis
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S 1
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1 1.6560000 1.0000000
basis
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S 1
clean up basis sets
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1 0.6333000 1.0000000
basis
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S 1
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1 0.2545000 1.0000000
basis
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S 1
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1 0.1019000 1.0000000
P 8
1 101.8000000 0.0008910
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basis
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P 1
clean up basis sets
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1 98.017 1.000000
basis
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P 1
clean up basis sets
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1 38.799 1.000000
basis
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P 1
clean up basis sets
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1 15.358 1.000000
basis
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P 1
clean up basis sets
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1 6.0800 1.000000
basis
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P 1
clean up basis sets
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1 1.0850000 1.0000000
basis
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P 1
clean up basis sets
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1 0.4496000 1.0000000
basis
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P 1
clean up basis sets
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1 0.1876000 1.0000000
basis
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P 1
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1 0.0760600 1.0000000
basis
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D 1
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1 60.439 1.000000
basis
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D 1
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1 21.419 1.000000
basis
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D 1
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1 7.5910 1.000000
basis
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D 1
clean up basis sets
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1 3.1340000 1.0000000
basis
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D 1
clean up basis sets
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1 1.2330000 1.0000000
basis
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D 1
clean up basis sets
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1 0.4850000 1.0000000
basis
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D 1
clean up basis sets
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1 0.1910000 1.0000000
basis
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F 1
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1 24.398 1.000000
basis
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F 1
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1 6.6980 1.000000
basis
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F 1
clean up basis sets
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1 2.0060000 1.0000000
basis
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F 1
clean up basis sets
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1 0.8380000 1.0000000
basis
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F 1
clean up basis sets
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1 0.3500000 1.0000000
basis
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G 1
clean up basis sets
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1 7.3110 1.000000
basis
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G 1
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1 1.7530000 1.0000000
basis
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G 1
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1 0.6780000 1.0000000
basis
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H 1
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1 1.2590000 1.0000000
basis
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NITROGEN
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S 14
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S 14
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basis
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S 1
clean up basis sets
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1 106.226 1.000000
basis
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S 1
clean up basis sets
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1 48.993 1.000000
basis
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S 1
clean up basis sets
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1 22.596 1.000000
basis
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S 1
clean up basis sets
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1 10.422 1.000000
basis
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S 1
clean up basis sets
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1 2.1950000 1.0000000
basis
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S 1
clean up basis sets
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1 0.8715000 1.0000000
basis
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S 1
clean up basis sets
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1 0.3504000 1.0000000
basis
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S 1
clean up basis sets
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1 0.1397000 1.0000000
P 8
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basis
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P 1
clean up basis sets
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1 132.544 1.000000
basis
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P 1
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1 53.600 1.000000
basis
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P 1
clean up basis sets
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1 21.676 1.000000
basis
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P 1
clean up basis sets
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1 8.7660 1.000000
basis
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P 1
clean up basis sets
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1 1.5870000 1.0000000
basis
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P 1
clean up basis sets
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1 0.6533000 1.0000000
basis
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P 1
clean up basis sets
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1 0.2686000 1.0000000
basis
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P 1
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1 0.1067000 1.0000000
basis
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D 1
clean up basis sets
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1 80.643 1.000000
basis
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D 1
clean up basis sets
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1 29.806 1.000000
basis
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D 1
clean up basis sets
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1 11.016 1.000000
basis
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D 1
clean up basis sets
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1 4.6470000 1.0000000
basis
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D 1
clean up basis sets
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1 1.8130000 1.0000000
basis
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D 1
clean up basis sets
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1 0.7070000 1.0000000
basis
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D 1
clean up basis sets
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1 0.2760000 1.0000000
basis
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F 1
clean up basis sets
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1 30.752 1.000000
basis
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F 1
clean up basis sets
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1 9.4860 1.000000
basis
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F 1
clean up basis sets
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1 2.9420000 1.0000000
basis
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F 1
clean up basis sets
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1 1.2040000 1.0000000
basis
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F 1
clean up basis sets
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1 0.4930000 1.0000000
basis
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G 1
clean up basis sets
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1 10.835 1.000000
basis
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G 1
clean up basis sets
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1 2.5110000 1.0000000
basis
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G 1
clean up basis sets
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1 0.9420000 1.0000000
basis
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H 1
clean up basis sets
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1 1.7680000 1.0000000
basis
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OXYGEN
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S 14
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basis
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S 1
clean up basis sets
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1 133.900 1.000000
basis
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S 1
clean up basis sets
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1 61.449 1.000000
basis
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S 1
clean up basis sets
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1 28.200 1.000000
basis
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S 1
clean up basis sets
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1 12.941 1.000000
basis
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S 1
clean up basis sets
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1 2.7760000 1.0000000
basis
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S 1
clean up basis sets
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1 1.1380000 1.0000000
basis
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S 1
clean up basis sets
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1 0.4600000 1.0000000
basis
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S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1829000 1.0000000
P 8
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basis
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P 1
clean up basis sets
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1 169.998 1.000000
basis
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P 1
clean up basis sets
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1 69.387 1.000000
basis
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P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 28.321 1.000000
basis
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P 1
clean up basis sets
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1 11.560 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.0940000 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 0.8471000 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 0.3368000 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 0.1285000 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 99.026 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 37.245 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.008 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.8790000 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 2.3070000 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 0.9050000 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 0.3550000 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 38.737 1.000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.653 1.000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.0160000 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 1.5540000 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 0.6010000 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 14.886 1.000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.3500000 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 1.1890000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.3190000 1.0000000
basis
2020-01-17 13:57:03 +01:00
FLUORINE
clean up basis sets
2020-10-26 14:52:11 +01:00
S 14
1 211400.0000000 0.0000260
2 31660.0000000 0.0002010
3 7202.0000000 0.0010560
4 2040.0000000 0.0044320
5 666.4000000 0.0157660
6 242.0000000 0.0481120
7 95.5300000 0.1232320
8 40.2300000 0.2515190
9 17.7200000 0.3645250
10 8.0050000 0.2797660
11 3.5380000 0.0635450
12 1.4580000 0.0011110
13 0.5887000 0.0012580
14 0.2324000 -0.0000350
S 14
1 211400.0000000 -0.0000060
2 31660.0000000 -0.0000470
3 7202.0000000 -0.0002440
4 2040.0000000 -0.0010310
5 666.4000000 -0.0036830
6 242.0000000 -0.0115130
7 95.5300000 -0.0306630
8 40.2300000 -0.0695720
9 17.7200000 -0.1239920
10 8.0050000 -0.1502140
11 3.5380000 0.0164600
12 1.4580000 0.3925500
13 0.5887000 0.5321640
14 0.2324000 0.1965240
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 162.845 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 75.531 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 35.033 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 16.249 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.5380000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4580000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5887000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2324000 1.0000000
P 8
1 241.9000000 0.0010020
2 57.1700000 0.0080540
3 18.1300000 0.0380480
4 6.6240000 0.1237790
5 2.6220000 0.2660600
6 1.0570000 0.3717960
7 0.4176000 0.3328900
8 0.1574000 0.1284910
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 209.293 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 86.051 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 35.380 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.547 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.6220000 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 1.0570000 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 0.4176000 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 0.1574000 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
1 123.771 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 47.634 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.333 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.7600000 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 3.0320000 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 1.1850000 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 0.4630000 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 49.413 1.000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 16.646 1.000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.3980000 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 2.0780000 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 0.8000000 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 19.609 1.000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.3380000 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 1.5130000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.9950000 1.0000000
basis
2020-01-17 13:57:03 +01:00
NEON
clean up basis sets
2020-10-26 14:52:11 +01:00
S 14
1 262700.0000000 0.0000260
2 39350.0000000 0.0002000
3 8955.0000000 0.0010500
4 2538.0000000 0.0044000
5 829.9000000 0.0156490
6 301.5000000 0.0477580
7 119.0000000 0.1229430
8 50.0000000 0.2524830
9 21.9800000 0.3663140
10 9.8910000 0.2796170
11 4.3270000 0.0616510
12 1.8040000 0.0009340
13 0.7288000 0.0013670
14 0.2867000 -0.0000380
S 14
1 262700.0000000 -0.0000060
2 39350.0000000 -0.0000470
3 8955.0000000 -0.0002470
4 2538.0000000 -0.0010380
5 829.9000000 -0.0037110
6 301.5000000 -0.0115930
7 119.0000000 -0.0310860
8 50.0000000 -0.0709720
9 21.9800000 -0.1272660
10 9.8910000 -0.1512310
11 4.3270000 0.0246660
12 1.8040000 0.3996120
13 0.7288000 0.5266160
14 0.2867000 0.1908540
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 195.256 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 91.139 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 42.541 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 19.856 1.000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.3270000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.8040000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7288000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2867000 1.0000000
P 8
1 299.1000000 0.0010380
2 70.7300000 0.0083750
3 22.4800000 0.0396930
4 8.2460000 0.1280560
5 3.2690000 0.2703250
6 1.3150000 0.3709630
7 0.5158000 0.3284990
8 0.1918000 0.1275880
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 250.919 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 104.438 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 43.469 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.093 1.000000
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.2690000 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 1.3150000 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 0.5158000 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 0.1918000 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
1 150.508 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 58.983 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 23.115 1.000000
basis
2020-01-17 13:57:03 +01:00
D 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 9.8370000 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 3.8440000 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 1.5020000 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 0.5870000 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 62.368 1.000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 21.460 1.000000
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.0900000 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 2.7380000 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 1.0570000 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 24.973 1.000000
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.4600000 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 1.8800000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.7760000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ALUMINUM
clean up basis sets
2020-10-26 14:52:11 +01:00
S 20
1 3269000.0000000 0.213962E-05
2 489400.0000000 0.166264E-04
3 111400.0000000 0.875168E-04
4 31560.0000000 0.368990E-03
5 10320.0000000 0.133903E-02
6 3731.0000000 0.435636E-02
7 1456.0000000 0.128955E-01
8 604.1000000 0.348201E-01
9 263.5000000 0.843530E-01
10 119.8000000 0.175907E+00
11 56.3200000 0.292091E+00
12 27.1900000 0.328220E+00
13 13.2600000 0.186927E+00
14 6.0520000 0.310430E-01
15 2.9810000 -0.508922E-03
16 1.4760000 0.148836E-02
17 0.7334000 -0.278241E-03
18 0.2447000 0.118752E-03
19 0.1088000 -0.661500E-04
20 0.0467200 0.175954E-04
S 20
1 3269000.0000000 -0.556026E-06
2 489400.0000000 -0.432303E-05
3 111400.0000000 -0.227413E-04
4 31560.0000000 -0.960116E-04
5 10320.0000000 -0.348376E-03
6 3731.0000000 -0.113836E-02
7 1456.0000000 -0.338744E-02
8 604.1000000 -0.931505E-02
9 263.5000000 -0.233023E-01
10 119.8000000 -0.523486E-01
11 56.3200000 -0.999499E-01
12 27.1900000 -0.150560E+00
13 13.2600000 -0.119121E+00
14 6.0520000 0.108091E+00
15 2.9810000 0.411129E+00
16 1.4760000 0.457214E+00
17 0.7334000 0.175938E+00
18 0.2447000 0.770610E-02
19 0.1088000 -0.166168E-02
20 0.0467200 0.445347E-03
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 27.1900000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 13.2600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.0520000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.9810000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.4760000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7334000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2447000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1088000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0467200 1.0000000
P 12
1 1461.0000000 0.208613E-03
2 346.2000000 0.181005E-02
3 112.2000000 0.973433E-02
4 42.5100000 0.378266E-01
5 17.7200000 0.110898E+00
6 7.8520000 0.234295E+00
7 3.5710000 0.345245E+00
8 1.6370000 0.331430E+00
9 0.7382000 0.147064E+00
10 0.2577000 0.121411E-01
11 0.0977300 -0.871639E-03
12 0.0369000 0.437957E-03
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 42.5100000 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 17.7200000 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 7.8520000 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 3.5710000 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 1.6370000 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 0.7382000 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 0.2577000 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 0.0977300 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 0.0369000 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 23.9730000 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 11.4150000 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 5.4360000 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 2.5890000 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 1.3170000 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 0.5260000 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 0.2100000 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 0.0840000 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 10.5130000 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 3.9740000 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 1.5020000 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 0.5130000 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 0.2580000 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 0.1300000 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 9.0060000 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 1.7460000 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 0.5430000 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 0.2520000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.8300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4460000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SILICON
clean up basis sets
2020-10-26 14:52:11 +01:00
S 20
1 3948000.0000000 0.203712E-05
2 591100.0000000 0.158394E-04
3 134500.0000000 0.833590E-04
4 38120.0000000 0.351361E-03
5 12460.0000000 0.127660E-02
6 4504.0000000 0.415191E-02
7 1758.0000000 0.123030E-01
8 729.1000000 0.333102E-01
9 318.0000000 0.809845E-01
10 144.6000000 0.170290E+00
11 67.9700000 0.286879E+00
12 32.8200000 0.330340E+00
13 16.0300000 0.196602E+00
14 7.3960000 0.354535E-01
15 3.6610000 -0.535204E-03
16 1.8230000 0.161465E-02
17 0.9147000 -0.372739E-03
18 0.3393000 0.146226E-03
19 0.1500000 -0.789446E-04
20 0.0643800 0.192801E-04
S 20
1 3948000.0000000 -0.542085E-06
2 591100.0000000 -0.421677E-05
3 134500.0000000 -0.221813E-04
4 38120.0000000 -0.936028E-04
5 12460.0000000 -0.340116E-03
6 4504.0000000 -0.111061E-02
7 1758.0000000 -0.330878E-02
8 729.1000000 -0.911602E-02
9 318.0000000 -0.228790E-01
10 144.6000000 -0.517119E-01
11 67.9700000 -0.999091E-01
12 32.8200000 -0.152747E+00
13 16.0300000 -0.127508E+00
14 7.3960000 0.946963E-01
15 3.6610000 0.414036E+00
16 1.8230000 0.467934E+00
17 0.9147000 0.173927E+00
18 0.3393000 0.843895E-02
19 0.1500000 -0.998067E-03
20 0.0643800 0.362096E-03
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 32.8200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 16.0300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.3960000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.6610000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.8230000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.9147000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3393000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0643800 1.0000000
P 12
1 1780.0000000 0.201206E-03
2 421.8000000 0.174937E-02
3 136.7000000 0.948141E-02
4 51.8100000 0.372313E-01
5 21.6000000 0.110763E+00
6 9.5630000 0.237933E+00
7 4.3500000 0.353691E+00
8 2.0060000 0.328839E+00
9 0.9205000 0.132373E+00
10 0.3500000 0.103300E-01
11 0.1381000 -0.150305E-03
12 0.0533800 0.265809E-03
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 51.8100000 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 21.6000000 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 9.5630000 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 4.3500000 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 2.0060000 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 0.9205000 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 0.3500000 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 0.1381000 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 0.0533800 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 29.7320000 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 13.4200000 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 6.0570000 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 2.7340000 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 2.0820000 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 0.8170000 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 0.3210000 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 0.1260000 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 13.3810000 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 5.1010000 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 1.9450000 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 0.6880000 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 0.3410000 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 0.1690000 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 11.4350000 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 2.1610000 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 0.7050000 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 0.3200000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.2250000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5830000 1.0000000
basis
2020-01-17 13:57:03 +01:00
PHOSPHORUS
clean up basis sets
2020-10-26 14:52:11 +01:00
S 20
1 4666000.0000000 0.196759E-05
2 698600.0000000 0.152963E-04
3 159000.0000000 0.804826E-04
4 45040.0000000 0.339737E-03
5 14720.0000000 0.123291E-02
6 5323.0000000 0.401345E-02
7 2076.0000000 0.119124E-01
8 861.1000000 0.322511E-01
9 375.7000000 0.786643E-01
10 170.8000000 0.166458E+00
11 80.2900000 0.283039E+00
12 38.7700000 0.331942E+00
13 18.9300000 0.203352E+00
14 8.7960000 0.383183E-01
15 4.3580000 -0.384720E-03
16 2.1740000 0.158744E-02
17 1.0950000 -0.413380E-03
18 0.4400000 0.152837E-03
19 0.1945000 -0.827031E-04
20 0.0837600 0.184133E-04
S 20
1 4666000.0000000 -0.534153E-06
2 698600.0000000 -0.415422E-05
3 159000.0000000 -0.218484E-04
4 45040.0000000 -0.923272E-04
5 14720.0000000 -0.335109E-03
6 5323.0000000 -0.109508E-02
7 2076.0000000 -0.326798E-02
8 861.1000000 -0.899951E-02
9 375.7000000 -0.226528E-01
10 170.8000000 -0.514650E-01
11 80.2900000 -0.100186E+00
12 38.7700000 -0.155075E+00
13 18.9300000 -0.133818E+00
14 8.7960000 0.878361E-01
15 4.3580000 0.422581E+00
16 2.1740000 0.474899E+00
17 1.0950000 0.165002E+00
18 0.4400000 0.846862E-02
19 0.1945000 -0.291762E-03
20 0.0837600 0.285341E-03
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 38.7700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 18.9300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.7960000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 4.3580000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.1740000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0950000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.4400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1945000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.0837600 1.0000000
P 12
1 2010.0000000 0.215915E-03
2 476.3000000 0.187536E-02
3 154.4000000 0.101742E-01
4 58.5100000 0.399856E-01
5 24.4000000 0.118563E+00
6 10.8000000 0.251816E+00
7 4.9130000 0.366565E+00
8 2.2690000 0.316177E+00
9 1.0430000 0.104700E+00
10 0.4313000 0.609862E-02
11 0.1767000 0.502077E-03
12 0.0700900 -0.295618E-04
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 58.5100000 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 24.4000000 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 10.8000000 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 4.9130000 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 2.2690000 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 1.0430000 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 0.4313000 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 0.1767000 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 0.0700900 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 37.3860000 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 17.0310000 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 7.7590000 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 3.5350000 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 2.6560000 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 1.0540000 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 0.4180000 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 0.1660000 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 17.0100000 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 6.5270000 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 2.5040000 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 0.9230000 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 0.4500000 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 0.2190000 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 14.1340000 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 2.6540000 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 0.9030000 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 0.4120000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.7040000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7450000 1.0000000
basis
2020-01-17 13:57:03 +01:00
SULFUR
clean up basis sets
2020-10-26 14:52:11 +01:00
S 20
1 5481000.0000000 0.189338E-05
2 820600.0000000 0.147211E-04
3 186700.0000000 0.775084E-04
4 52880.0000000 0.327224E-03
5 17250.0000000 0.119365E-02
6 6226.0000000 0.388393E-02
7 2429.0000000 0.115336E-01
8 1007.0000000 0.312748E-01
9 439.5000000 0.764387E-01
10 199.8000000 0.162700E+00
11 93.9200000 0.279328E+00
12 45.3400000 0.333145E+00
13 22.1500000 0.209836E+00
14 10.3400000 0.415974E-01
15 5.1190000 -0.450552E-03
16 2.5530000 0.168855E-02
17 1.2820000 -0.517236E-03
18 0.5450000 0.188773E-03
19 0.2411000 -0.997734E-04
20 0.1035000 0.209020E-04
S 20
1 5481000.0000000 -0.522912E-06
2 820600.0000000 -0.406690E-05
3 186700.0000000 -0.214065E-04
4 52880.0000000 -0.904540E-04
5 17250.0000000 -0.330080E-03
6 6226.0000000 -0.107782E-02
7 2429.0000000 -0.321874E-02
8 1007.0000000 -0.887217E-02
9 439.5000000 -0.223771E-01
10 199.8000000 -0.510577E-01
11 93.9200000 -0.100225E+00
12 45.3400000 -0.156795E+00
13 22.1500000 -0.139748E+00
14 10.3400000 0.810059E-01
15 5.1190000 0.430883E+00
16 2.5530000 0.481688E+00
17 1.2820000 0.156862E+00
18 0.5450000 0.788814E-02
19 0.2411000 0.393533E-03
20 0.1035000 0.223757E-03
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 45.3400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 22.1500000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 10.3400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 5.1190000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 2.5530000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.2820000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.5450000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2411000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1035000 1.0000000
P 12
1 2200.0000000 0.239049E-03
2 521.4000000 0.207686E-02
3 169.0000000 0.112363E-01
4 64.0500000 0.440690E-01
5 26.7200000 0.129168E+00
6 11.8300000 0.269083E+00
7 5.3780000 0.378611E+00
8 2.4820000 0.296779E+00
9 1.1160000 0.779676E-01
10 0.4848000 0.205193E-02
11 0.2006000 0.143602E-02
12 0.0795100 -0.596000E-04
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 64.0500000 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 26.7200000 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 11.8300000 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 5.3780000 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 2.4820000 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 1.1160000 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 0.4848000 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 0.2006000 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 0.0795100 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 45.4580000 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 21.0130000 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 9.7130000 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 4.4900000 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 3.2030000 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 1.2810000 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 0.5120000 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 0.2050000 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 20.4850000 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 7.8370000 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 2.9980000 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 1.0960000 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 0.5290000 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 0.2550000 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 17.1010000 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 3.1540000 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 1.0710000 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 0.4630000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.2310000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.8720000 1.0000000
basis
2020-01-17 13:57:03 +01:00
CHLORINE
clean up basis sets
2020-10-26 14:52:11 +01:00
S 20
1 6410000.0000000 0.181350E-05
2 959600.0000000 0.141118E-04
3 218300.0000000 0.742406E-04
4 61810.0000000 0.314131E-03
5 20140.0000000 0.114642E-02
6 7264.0000000 0.373888E-02
7 2832.0000000 0.110946E-01
8 1175.0000000 0.301152E-01
9 512.6000000 0.739145E-01
10 233.0000000 0.158258E+00
11 109.5000000 0.274753E+00
12 52.8600000 0.334066E+00
13 25.8400000 0.217589E+00
14 12.1700000 0.457278E-01
15 6.0300000 -0.134739E-03
16 3.0120000 0.163933E-02
17 1.5110000 -0.522212E-03
18 0.6604000 0.180648E-03
19 0.2926000 -0.999312E-04
20 0.1254000 0.192175E-04
S 20
1 6410000.0000000 -0.508303E-06
2 959600.0000000 -0.395633E-05
3 218300.0000000 -0.208095E-04
4 61810.0000000 -0.881175E-04
5 20140.0000000 -0.321742E-03
6 7264.0000000 -0.105277E-02
7 2832.0000000 -0.314183E-02
8 1175.0000000 -0.866363E-02
9 512.6000000 -0.219353E-01
10 233.0000000 -0.502584E-01
11 109.5000000 -0.995414E-01
12 52.8600000 -0.157647E+00
13 25.8400000 -0.146024E+00
14 12.1700000 0.692230E-01
15 6.0300000 0.430412E+00
16 3.0120000 0.490802E+00
17 1.5110000 0.158390E+00
18 0.6604000 0.839885E-02
19 0.2926000 0.768484E-03
20 0.1254000 0.227146E-03
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 52.8600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 25.8400000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 12.1700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 6.0300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.0120000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5110000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6604000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2926000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1254000 1.0000000
P 12
1 2548.0000000 0.235702E-03
2 603.7000000 0.205158E-02
3 195.6000000 0.111543E-01
4 74.1500000 0.439816E-01
5 30.9400000 0.129994E+00
6 13.6900000 0.272959E+00
7 6.2290000 0.383690E+00
8 2.8780000 0.291870E+00
9 1.2820000 0.704464E-01
10 0.5641000 0.128761E-02
11 0.2348000 0.182623E-02
12 0.0931200 0.199013E-04
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 74.1500000 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 30.9400000 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 13.6900000 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 6.2290000 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 2.8780000 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 1.2820000 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 0.5641000 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 0.2348000 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 0.0931200 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 54.6490000 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 25.7700000 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 12.1520000 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 5.7310000 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 3.7810000 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 1.5290000 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 0.6180000 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 0.2500000 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 24.7740000 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 9.4950000 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 3.6390000 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 1.3450000 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 0.6560000 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 0.3200000 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 20.3680000 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 3.7560000 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 1.3020000 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 0.5560000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.8360000 1.0000000
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.0530000 1.0000000
basis
2020-01-17 13:57:03 +01:00
ARGON
clean up basis sets
2020-10-26 14:52:11 +01:00
S 20
1 7401000.0000000 0.00000175
2 1108000.0000000 0.00001361
3 252100.0000000 0.00007163
4 71380.0000000 0.00030303
5 23260.0000000 0.00110608
6 8390.0000000 0.00360671
7 3271.0000000 0.01071321
8 1357.0000000 0.02910677
9 592.0000000 0.07166011
10 269.1000000 0.15414053
11 126.5000000 0.27041707
12 61.0300000 0.33485470
13 29.8600000 0.22434631
14 14.1700000 0.05000284
15 7.0220000 0.00006459
16 3.5110000 0.00168641
17 1.7580000 -0.00058096
18 0.7841000 0.00019670
19 0.3480000 -0.00011125
20 0.1491000 0.00002061
S 20
1 7401000.0000000 -0.00000050
2 1108000.0000000 -0.00000387
3 252100.0000000 -0.00002034
4 71380.0000000 -0.00008609
5 23260.0000000 -0.00031444
6 8390.0000000 -0.00102841
7 3271.0000000 -0.00307267
8 1357.0000000 -0.00847532
9 592.0000000 -0.02152008
10 269.1000000 -0.04944932
11 126.5000000 -0.09877592
12 61.0300000 -0.15830822
13 29.8600000 -0.15140298
14 14.1700000 0.05824264
15 7.0220000 0.42938305
16 3.5110000 0.49908884
17 1.7580000 0.16027837
18 0.7841000 0.00883960
19 0.3480000 0.00113130
20 0.1491000 0.00022377
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 61.0300000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 29.8600000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 14.1700000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 7.0220000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.5110000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.7580000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.7841000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.3480000 1.0000000
basis
2020-01-17 13:57:03 +01:00
S 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.1491000 1.0000000
P 12
1 2927.0000000 0.00023199
2 693.5000000 0.00202329
3 224.7000000 0.01103401
4 85.1700000 0.04383970
5 35.5300000 0.13035904
6 15.7300000 0.27574991
7 7.1650000 0.38764330
8 3.3220000 0.28740741
9 1.4780000 0.06575812
10 0.6552000 0.00014739
11 0.2751000 0.00113879
12 0.1097000 -0.00025253
basis
2020-01-17 13:57:03 +01:00
P 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 85.1700000 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 35.5300000 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 15.7300000 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 7.1650000 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 3.3220000 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 1.4780000 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 0.6552000 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 0.2751000 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 0.1097000 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 64.0290000 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 29.4820000 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 13.5750000 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 6.2510000 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 4.7760000 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 1.9170000 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 0.7700000 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 0.3090000 1.0000000
F 1
1 29.7360000 1.0000000
F 1
1 11.4600000 1.0000000
F 1
1 4.4170000 1.0000000
F 1
1 1.6680000 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 0.8250000 1.0000000
F 1
1 0.4080000 1.0000000
G 1
1 23.9030000 1.0000000
G 1
1 4.4270000 1.0000000
G 1
1 1.5620000 1.0000000
G 1
1 0.6650000 1.0000000
H 1
1 4.5180000 1.0000000
H 1
1 1.2640000 1.0000000
SCANDIUM
S 28
1 1.194950E+08 6.485949E-08
2 2.149920E+07 4.284789E-07
3 4.807030E+06 2.485007E-06
4 1.284400E+06 1.142200E-05
5 3.965950E+05 4.446960E-05
6 1.375750E+05 1.513206E-04
7 5.236680E+04 4.641311E-04
8 2.145490E+04 1.311834E-03
9 9.316060E+03 3.474539E-03
10 4.235400E+03 8.703081E-03
11 1.997440E+03 2.066048E-02
12 9.704300E+02 4.605121E-02
13 4.832710E+02 9.414403E-02
14 2.458060E+02 1.684787E-01
15 1.273600E+02 2.427557E-01
16 6.707880E+01 2.400019E-01
17 3.583710E+01 1.296899E-01
18 1.937130E+01 5.179276E-02
19 1.055710E+01 8.932598E-02
20 5.772490E+00 1.143741E-01
21 3.145400E+00 5.378437E-02
22 1.692490E+00 7.075763E-03
23 8.886490E-01 4.599282E-04
24 4.710930E-01 -4.575677E-05
25 2.492860E-01 1.697886E-05
26 9.998800E-02 -4.762361E-06
27 4.636900E-02 1.150180E-05
28 2.160600E-02 1.531918E-06
S 28
1 1.194950E+08 -3.759394E-08
2 2.149920E+07 -2.483745E-07
3 4.807030E+06 -1.440342E-06
4 1.284400E+06 -6.621203E-06
5 3.965950E+05 -2.577627E-05
6 1.375750E+05 -8.773842E-05
7 5.236680E+04 -2.691491E-04
8 2.145490E+04 -7.615431E-04
9 9.316060E+03 -2.020037E-03
10 4.235400E+03 -5.080893E-03
11 1.997440E+03 -1.215118E-02
12 9.704300E+02 -2.752281E-02
13 4.832710E+02 -5.797250E-02
14 2.458060E+02 -1.101259E-01
15 1.273600E+02 -1.781088E-01
16 6.707880E+01 -2.198344E-01
17 3.583710E+01 -1.529949E-01
18 1.937130E+01 5.678122E-02
19 1.055710E+01 3.530772E-01
20 5.772490E+00 4.663403E-01
21 3.145400E+00 2.199163E-01
22 1.692490E+00 2.889190E-02
23 8.886490E-01 7.763282E-04
24 4.710930E-01 -8.474216E-04
25 2.492860E-01 -1.233881E-04
26 9.998800E-02 -1.245485E-05
27 4.636900E-02 3.906270E-05
28 2.160600E-02 7.101214E-06
S 28
1 1.194950E+08 7.277775E-09
2 2.149920E+07 4.808602E-08
3 4.807030E+06 2.788306E-07
4 1.284400E+06 1.281931E-06
5 3.965950E+05 4.990129E-06
6 1.375750E+05 1.699051E-05
7 5.236680E+04 5.212700E-05
8 2.145490E+04 1.476347E-04
9 9.316060E+03 3.921373E-04
10 4.235400E+03 9.900468E-04
11 1.997440E+03 2.383475E-03
12 9.704300E+02 5.475682E-03
13 4.832710E+02 1.183105E-02
14 2.458060E+02 2.357475E-02
15 1.273600E+02 4.140241E-02
16 6.707880E+01 5.818726E-02
17 3.583710E+01 4.596130E-02
18 1.937130E+01 -2.847061E-02
19 1.055710E+01 -1.817584E-01
20 5.772490E+00 -3.512111E-01
21 3.145400E+00 -2.324215E-01
22 1.692490E+00 2.277188E-01
23 8.886490E-01 5.757256E-01
24 4.710930E-01 4.062223E-01
25 2.492860E-01 8.525293E-02
26 9.998800E-02 3.975498E-03
27 4.636900E-02 1.954373E-03
28 2.160600E-02 8.159758E-04
S 28
1 1.194950E+08 -1.751768E-09
2 2.149920E+07 -1.157503E-08
3 4.807030E+06 -6.711375E-08
4 1.284400E+06 -3.085845E-07
5 3.965950E+05 -1.201088E-06
6 1.375750E+05 -4.090037E-06
7 5.236680E+04 -1.254629E-05
8 2.145490E+04 -3.554102E-05
9 9.316060E+03 -9.438160E-05
10 4.235400E+03 -2.383648E-04
11 1.997440E+03 -5.737202E-04
12 9.704300E+02 -1.318746E-03
13 4.832710E+02 -2.849209E-03
14 2.458060E+02 -5.684235E-03
15 1.273600E+02 -9.991445E-03
16 6.707880E+01 -1.409713E-02
17 3.583710E+01 -1.116554E-02
18 1.937130E+01 6.912254E-03
19 1.055710E+01 4.558164E-02
20 5.772490E+00 9.219903E-02
21 3.145400E+00 6.237781E-02
22 1.692490E+00 -7.194592E-02
23 8.886490E-01 -1.917054E-01
24 4.710930E-01 -2.379872E-01
25 2.492860E-01 -1.129999E-01
26 9.998800E-02 3.424078E-01
27 4.636900E-02 6.263064E-01
28 2.160600E-02 2.343503E-01
S 28
1 1.194950E+08 3.023751E-09
2 2.149920E+07 2.009343E-08
3 4.807030E+06 1.156659E-07
4 1.284400E+06 5.364214E-07
5 3.965950E+05 2.066097E-06
6 1.375750E+05 7.126727E-06
7 5.236680E+04 2.151877E-05
8 2.145490E+04 6.213603E-05
9 9.316060E+03 1.612839E-04
10 4.235400E+03 4.183292E-04
11 1.997440E+03 9.766017E-04
12 9.704300E+02 2.324551E-03
13 4.832710E+02 4.827024E-03
14 2.458060E+02 1.009998E-02
15 1.273600E+02 1.673441E-02
16 6.707880E+01 2.581961E-02
17 3.583710E+01 1.659005E-02
18 1.937130E+01 -5.993844E-03
19 1.055710E+01 -9.265210E-02
20 5.772490E+00 -1.475540E-01
21 3.145400E+00 -1.531648E-01
22 1.692490E+00 2.278575E-01
23 8.886490E-01 3.441065E-01
24 4.710930E-01 7.482063E-01
25 2.492860E-01 -7.586006E-01
26 9.998800E-02 -1.492845E+00
27 4.636900E-02 7.089234E-01
28 2.160600E-02 7.726792E-01
S 28
1 1.194950E+08 -4.699340E-09
2 2.149920E+07 -3.121033E-08
3 4.807030E+06 -1.797873E-07
4 1.284400E+06 -8.330969E-07
5 3.965950E+05 -3.212062E-06
6 1.375750E+05 -1.106577E-05
7 5.236680E+04 -3.346404E-05
8 2.145490E+04 -9.645132E-05
9 9.316060E+03 -2.509128E-04
10 4.235400E+03 -6.492071E-04
11 1.997440E+03 -1.520210E-03
12 9.704300E+02 -3.607668E-03
13 4.832710E+02 -7.524161E-03
14 2.458060E+02 -1.568944E-02
15 1.273600E+02 -2.620054E-02
16 6.707880E+01 -4.021946E-02
17 3.583710E+01 -2.662630E-02
18 1.937130E+01 1.032930E-02
19 1.055710E+01 1.480576E-01
20 5.772490E+00 2.660165E-01
21 3.145400E+00 2.494336E-01
22 1.692490E+00 -5.406974E-01
23 8.886490E-01 -1.045556E+00
24 4.710930E-01 -1.827419E-01
25 2.492860E-01 2.749406E+00
26 9.998800E-02 -1.329988E+00
27 4.636900E-02 -1.651389E+00
28 2.160600E-02 1.716682E+00
S 28
1 1.194950E+08 -5.382706E-09
2 2.149920E+07 -3.464964E-08
3 4.807030E+06 -2.077081E-07
4 1.284400E+06 -9.176214E-07
5 3.965950E+05 -3.749175E-06
6 1.375750E+05 -1.202459E-05
7 5.236680E+04 -3.967943E-05
8 2.145490E+04 -1.028180E-04
9 9.316060E+03 -3.033647E-04
10 4.235400E+03 -6.770787E-04
11 1.997440E+03 -1.876278E-03
12 9.704300E+02 -3.671941E-03
13 4.832710E+02 -9.536033E-03
14 2.458060E+02 -1.530677E-02
15 1.273600E+02 -3.545668E-02
16 6.707880E+01 -3.294163E-02
17 3.583710E+01 -5.839314E-02
18 1.937130E+01 6.538662E-02
19 1.055710E+01 6.318978E-02
20 5.772490E+00 5.906996E-01
21 3.145400E+00 -1.332877E-01
22 1.692490E+00 -3.017064E-01
23 8.886490E-01 -2.969901E+00
24 4.710930E-01 4.814088E+00
25 2.492860E-01 -8.352144E-01
26 9.998800E-02 -4.401836E+00
27 4.636900E-02 5.729989E+00
28 2.160600E-02 -2.692356E+00
S 28
1 1.194950E+08 8.181715E-09
2 2.149920E+07 5.531212E-08
3 4.807030E+06 3.110133E-07
4 1.284400E+06 1.484627E-06
5 3.965950E+05 5.517880E-06
6 1.375750E+05 1.987947E-05
7 5.236680E+04 5.688854E-05
8 2.145490E+04 1.752133E-04
9 9.316060E+03 4.210802E-04
10 4.235400E+03 1.193679E-03
11 1.997440E+03 2.520603E-03
12 9.704300E+02 6.726648E-03
13 4.832710E+02 1.230813E-02
14 2.458060E+02 3.008461E-02
15 1.273600E+02 4.143790E-02
16 6.707880E+01 8.479558E-02
17 3.583710E+01 2.415501E-02
18 1.937130E+01 2.824664E-02
19 1.055710E+01 -4.174669E-01
20 5.772490E+00 -5.850258E-01
21 3.145400E+00 -4.454488E-01
22 1.692490E+00 4.127336E+00
23 8.886490E-01 -2.305176E+00
24 4.710930E-01 -5.710689E+00
25 2.492860E-01 9.548572E+00
26 9.998800E-02 -8.563715E+00
27 4.636900E-02 6.185611E+00
28 2.160600E-02 -2.142828E+00
S 1
1 4.372000 1.0
S 1
1 1.155600 1.0
S 1
1 2.160600E-02 1.000000E+00
P 20
1 5.507050E+04 2.000000E-06
2 1.374170E+04 2.100000E-05
3 4.365400E+03 1.300000E-04
4 1.642260E+03 6.120000E-04
5 6.940660E+02 2.397000E-03
6 3.177420E+02 8.073000E-03
7 1.538990E+02 2.372600E-02
8 7.776650E+01 6.062000E-02
9 4.067360E+01 1.298550E-01
10 2.190610E+01 2.210980E-01
11 1.207950E+01 2.932320E-01
12 6.753490E+00 2.767500E-01
13 3.763210E+00 1.477940E-01
14 2.049730E+00 3.202400E-02
15 1.086450E+00 2.890000E-04
16 5.640870E-01 -1.467000E-03
17 2.810200E-01 -7.670000E-04
18 1.215440E-01 -5.800000E-05
19 5.345900E-02 -1.100000E-05
20 2.321500E-02 1.000000E-06
P 20
1 5.507050E+04 -1.000000E-06
2 1.374170E+04 -7.000000E-06
3 4.365400E+03 -4.200000E-05
4 1.642260E+03 -2.010000E-04
5 6.940660E+02 -7.890000E-04
6 3.177420E+02 -2.669000E-03
7 1.538990E+02 -7.922000E-03
8 7.776650E+01 -2.059800E-02
9 4.067360E+01 -4.537500E-02
10 2.190610E+01 -7.963200E-02
11 1.207950E+01 -1.106180E-01
12 6.753490E+00 -1.082040E-01
13 3.763210E+00 -9.200000E-04
14 2.049730E+00 2.175660E-01
15 1.086450E+00 3.921900E-01
16 5.640870E-01 3.639770E-01
17 2.810200E-01 1.499530E-01
18 1.215440E-01 1.514700E-02
19 5.345900E-02 5.690000E-04
20 2.321500E-02 1.510000E-04
P 20
1 5.507050E+04 -1.000000E-06
2 1.374170E+04 -7.000000E-06
3 4.365400E+03 -4.300000E-05
4 1.642260E+03 -2.170000E-04
5 6.940660E+02 -8.070000E-04
6 3.177420E+02 -2.887000E-03
7 1.538990E+02 -8.161000E-03
8 7.776650E+01 -2.271300E-02
9 4.067360E+01 -4.739600E-02
10 2.190610E+01 -8.968000E-02
11 1.207950E+01 -1.077940E-01
12 6.753490E+00 -1.913740E-01
13 3.763210E+00 3.672400E-02
14 2.049730E+00 1.201016E+00
15 1.086450E+00 3.399550E-01
16 5.640870E-01 -3.802289E+00
17 2.810200E-01 4.448876E+00
18 1.215440E-01 -2.513096E+00
19 5.345900E-02 4.021440E-01
20 2.321500E-02 5.059010E-01
P 19
1 1.374170E+04 2.000000E-06
2 4.365400E+03 1.000000E-05
3 1.642260E+03 4.900000E-05
4 6.940660E+02 1.930000E-04
5 3.177420E+02 6.490000E-04
6 1.538990E+02 1.942000E-03
7 7.776650E+01 5.022000E-03
8 4.067360E+01 1.117500E-02
9 2.190610E+01 1.947300E-02
10 1.207950E+01 2.764700E-02
11 6.753490E+00 2.646600E-02
12 3.763210E+00 -1.460000E-03
13 2.049730E+00 -6.499500E-02
14 1.086450E+00 -1.156050E-01
15 5.640870E-01 -1.382000E-01
16 2.810200E-01 7.281000E-03
17 1.215440E-01 3.621410E-01
18 5.345900E-02 5.420120E-01
19 2.321500E-02 2.155470E-01
P 19
1 1.374170E+04 2.000000E-06
2 4.365400E+03 1.200000E-05
3 1.642260E+03 5.900000E-05
4 6.940660E+02 2.320000E-04
5 3.177420E+02 7.880000E-04
6 1.538990E+02 2.330000E-03
7 7.776650E+01 6.094000E-03
8 4.067360E+01 1.337600E-02
9 2.190610E+01 2.370100E-02
10 1.207950E+01 3.278900E-02
11 6.753490E+00 3.290900E-02
12 3.763210E+00 -2.231000E-03
13 2.049730E+00 -7.361100E-02
14 1.086450E+00 -1.369540E-01
15 5.640870E-01 -1.677060E-01
16 2.810200E-01 -5.268600E-02
17 1.215440E-01 5.744330E-01
18 5.345900E-02 5.236500E-01
19 2.321500E-02 3.496900E-02
P 19
1 1.374170E+04 4.000000E-06
2 4.365400E+03 2.700000E-05
3 1.642260E+03 1.150000E-04
4 6.940660E+02 4.920000E-04
5 3.177420E+02 1.527000E-03
6 1.538990E+02 4.936000E-03
7 7.776650E+01 1.174700E-02
8 4.067360E+01 2.860300E-02
9 2.190610E+01 4.436000E-02
10 1.207950E+01 7.619200E-02
11 6.753490E+00 5.760600E-02
12 3.763210E+00 2.398700E-02
13 2.049730E+00 -2.155680E-01
14 1.086450E+00 -3.753780E-01
15 5.640870E-01 -4.369340E-01
16 2.810200E-01 1.222472E+00
17 1.215440E-01 4.294290E-01
18 5.345900E-02 -9.345890E-01
19 2.321500E-02 -8.235500E-02
P 19
1 1.374170E+04 -6.000000E-06
2 4.365400E+03 -2.400000E-05
3 1.642260E+03 -1.730000E-04
4 6.940660E+02 -4.550000E-04
5 3.177420E+02 -2.275000E-03
6 1.538990E+02 -4.543000E-03
7 7.776650E+01 -1.774200E-02
8 4.067360E+01 -2.427100E-02
9 2.190610E+01 -7.561100E-02
10 1.207950E+01 -4.487900E-02
11 6.753490E+00 -1.899630E-01
12 3.763210E+00 1.273510E-01
13 2.049730E+00 1.161170E-01
14 1.086450E+00 1.348698E+00
15 5.640870E-01 -1.512311E+00
16 2.810200E-01 -9.436110E-01
17 1.215440E-01 2.307450E+00
18 5.345900E-02 -1.217237E+00
19 2.321500E-02 -1.697150E-01
P 1
1 5.094800 1.0
P 1
1 1.234900 1.0
P 1
1 2.321500E-02 1.000000E+00
D 12
1 2.056060E+02 2.380000E-04
2 6.102270E+01 2.167000E-03
3 2.336300E+01 1.084900E-02
4 9.963460E+00 3.588100E-02
5 4.489450E+00 9.349100E-02
6 2.117950E+00 1.810760E-01
7 1.012018E+00 2.575930E-01
8 4.810450E-01 2.918550E-01
9 2.264880E-01 2.690060E-01
10 1.050570E-01 1.881740E-01
11 4.768200E-02 7.324300E-02
12 2.066000E-02 6.441000E-03
D 12
1 2.056060E+02 -2.430000E-04
2 6.102270E+01 -2.214000E-03
3 2.336300E+01 -1.110700E-02
4 9.963460E+00 -3.697000E-02
5 4.489450E+00 -9.781500E-02
6 2.117950E+00 -1.845670E-01
7 1.012018E+00 -2.472790E-01
8 4.810450E-01 -2.053770E-01
9 2.264880E-01 1.036720E-01
10 1.050570E-01 4.618980E-01
11 4.768200E-02 3.834000E-01
12 2.066000E-02 6.668000E-02
D 12
1 2.056060E+02 -3.220000E-04
2 6.102270E+01 -2.876000E-03
3 2.336300E+01 -1.481800E-02
4 9.963460E+00 -4.843800E-02
5 4.489450E+00 -1.307580E-01
6 2.117950E+00 -2.428420E-01
7 1.012018E+00 -2.844310E-01
8 4.810450E-01 1.037260E-01
9 2.264880E-01 7.430280E-01
10 1.050570E-01 9.533700E-02
11 4.768200E-02 -6.651170E-01
12 2.066000E-02 -1.788500E-01
D 12
1 2.056060E+02 -4.530000E-04
2 6.102270E+01 -3.796000E-03
3 2.336300E+01 -2.077300E-02
4 9.963460E+00 -6.544600E-02
5 4.489450E+00 -1.943420E-01
6 2.117950E+00 -3.147140E-01
7 1.012018E+00 -2.516280E-01
8 4.810450E-01 1.085315E+00
9 2.264880E-01 -1.291800E-02
10 1.050570E-01 -1.243783E+00
11 4.768200E-02 7.723990E-01
12 2.066000E-02 2.353340E-01
D 12
1 2.056060E+02 -5.240000E-04
2 6.102270E+01 -6.793000E-03
3 2.336300E+01 -2.631900E-02
4 9.963460E+00 -1.219320E-01
5 4.489450E+00 -2.498200E-01
6 2.117950E+00 -6.181690E-01
7 1.012018E+00 9.989180E-01
8 4.810450E-01 5.962450E-01
9 2.264880E-01 -2.138243E+00
10 1.050570E-01 1.973082E+00
11 4.768200E-02 -6.527370E-01
12 2.066000E-02 -2.314000E-01
D 1
1 2.661300 1.0
D 1
1 1.428000 1.0
D 1
1 2.066000E-02 1.000000E+00
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.6333 1.0
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.5293 1.0
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6437 1.0
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.2709 1.0
basis
2020-01-17 13:57:03 +01:00
F 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 8.200000E-02 1.000000E+00
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.1815 1.0
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.3857 1.0
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 0.6036 1.0
basis
2020-01-17 13:57:03 +01:00
G 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.717000E-01 1.000000E+00
H 1
1 2.8788 1.0
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 1.1532 1.0
basis
2020-01-17 13:57:03 +01:00
H 1
clean up basis sets
2020-10-26 14:52:11 +01:00
1 3.308000E-01 1.000000E+00
I 1
1 2.3601 1.0
I 1
1 5.720000E-01 1.000000E+00
basis
2020-01-17 13:57:03 +01:00
clean up basis sets
2020-10-26 14:52:11 +01:00
TITANIUM
S 28
1 1.22647E+08 7.095361E-08
2 2.19562E+07 4.715986E-07
3 4.90233E+06 2.73436E-06
4 1.31060E+06 1.254715E-05
5 405228.0000000 4.87474E-05
6 140757.0000000 0.0001656213
7 53625.1000000 0.000507645
8 21976.2000000 0.001435019
9 9539.6000000 0.003802412
10 4334.3700000 0.009523779
11 2042.8900000 0.02256875
12 992.3080000 0.05005125
13 494.4460000 0.1012414
14 251.9070000 0.1777644
15 130.9050000 0.2479159
16 69.2368000 0.2326747
17 37.1847000 0.1178873
18 20.2157000 0.05105946
19 11.0765000 0.0930772
20 6.0786700 0.1086846
21 3.3127700 0.04564404
22 1.7725000 0.005168047
23 0.9173780 0.0003233996
24 0.4692830 -4.994148E-05
25 0.2192670 1.32042E-05
26 0.1058110 -2.323768E-07
27 0.0484430 1.693377E-05
28 0.0225350 3.899797E-06
S 28
1 1.22647E+08 -4.075872E-08
2 2.19562E+07 -2.709226E-07
3 4.90233E+06 -1.570715E-06
4 1.31060E+06 -7.208331E-06
5 405228.0000000 -2.800379E-05
6 140757.0000000 -9.517165E-05
7 53625.1000000 -0.000291772
8 21976.2000000 -0.0008256845
9 9539.6000000 -0.002191592
10 4334.3700000 -0.005513608
11 2042.8900000 -0.01317331
12 992.3080000 -0.02972775
13 494.4460000 -0.06213528
14 251.9070000 -0.1164183
15 130.9050000 -0.1841156
16 69.2368000 -0.2185094
17 37.1847000 -0.1380868
18 20.2157000 0.08418941
19 11.0765000 0.3811652
20 6.0786700 0.4556996
21 3.3127700 0.1917966
22 1.7725000 0.02151962
23 0.9173780 0.0001959175
24 0.4692830 -0.0008089156
25 0.2192670 -5.422205E-05
26 0.1058110 1.652837E-05
27 0.0484430 6.140255E-05
28 0.0225350 1.769605E-05
S 28
1 1.22647E+08 8.126533E-09
2 2.19562E+07 5.402507E-08
3 4.90233E+06 3.131603E-07
4 1.31060E+06 1.437508E-06
5 405228.0000000 5.583328E-06
6 140757.0000000 1.898417E-05
7 53625.1000000 5.819596E-05
8 21976.2000000 0.0001649019
9 9539.6000000 0.0004381911
10 4334.3700000 0.001107231
11 2042.8900000 0.002663108
12 992.3080000 0.006103966
13 494.4460000 0.01310044
14 251.9070000 0.02583473
15 130.9050000 0.04449334
16 69.2368000 0.06033054
17 37.1847000 0.04260364
18 20.2157000 -0.04039406
19 11.0765000 -0.2075689
20 6.0786700 -0.3654648
21 3.3127700 -0.1936936
22 1.7725000 0.2988342
23 0.9173780 0.6067712
24 0.4692830 0.3552150
25 0.2192670 0.04285188
26 0.1058110 -0.000483546
27 0.0484430 0.002744033
28 0.0225350 0.0004583706
S 28
1 1.22647E+08 -1.917924E-09
2 2.19562E+07 -1.275194E-08
3 4.90233E+06 -7.390566E-08
4 1.31060E+06 -3.393166E-07
5 405228.0000000 -1.317608E-06
6 140757.0000000 -4.481371E-06
7 53625.1000000 -1.373284E-05
8 21976.2000000 -3.892998E-05
9 9539.6000000 -0.0001033977
10 4334.3700000 -0.0002614367
11 2042.8900000 -0.0006284415
12 992.3080000 -0.001441853
13 494.4460000 -0.003093015
14 251.9070000 -0.006111397
15 130.9050000 -0.01052833
16 69.2368000 -0.01435524
17 37.1847000 -0.01013538
18 20.2157000 0.009606909
19 11.0765000 0.05144379
20 6.0786700 0.09453862
21 3.3127700 0.05074349
22 1.7725000 -0.09206241
23 0.9173780 -0.2088530
24 0.4692830 -0.2397326
25 0.2192670 -0.06020934
26 0.1058110 0.3785445
27 0.0484430 0.6064633
28 0.0225350 0.2131577
S 28
1 1.22647E+08 3.549931E-09
2 2.19562E+07 2.360021E-08
3 4.90233E+06 1.36798E-07
4 1.31060E+06 6.279605E-07
5 405228.0000000 2.438963E-06
6 140757.0000000 8.293127E-06
7 53625.1000000 2.542185E-05
8 21976.2000000 7.203924E-05
9 9539.6000000 0.0001914264
10 4334.3700000 0.0004837789
11 2042.8900000 0.001163735
12 992.3080000 0.002668623
13 494.4460000 0.005731308
14 251.9070000 0.0113213
15 130.9050000 0.01955315
16 69.2368000 0.02667333
17 37.1847000 0.01900155
18 20.2157000 -0.01799341
19 11.0765000 -0.09813293
20 6.0786700 -0.1886658
21 3.3127700 -0.09633798
22 1.7725000 0.2275436
23 0.9173780 0.5716640
24 0.4692830 0.3842511
25 0.2192670 -0.9402894
26 0.1058110 -1.1052390
27 0.0484430 0.7263152
28 0.0225350 0.6717200
S 28
1 1.22647E+08 -5.483292E-09
2 2.19562E+07 -3.632168E-08
3 4.90233E+06 -2.115133E-07
4 1.31060E+06 -9.655732E-07
5 405228.0000000 -3.775667E-06
6 140757.0000000 -1.273208E-05
7 53625.1000000 -3.942849E-05
8 21976.2000000 -0.0001103639
9 9539.6000000 -0.0002976
10 4334.3700000 -0.0007394247
11 2042.8900000 -0.001814232
12 992.3080000 -0.004069364
13 494.4460000 -0.008975097
14 251.9070000 -0.01720642
15 130.9050000 -0.03100851
16 69.2368000 -0.03994524
17 37.1847000 -0.03317775
18 20.2157000 0.0350855
19 11.0765000 0.1472194
20 6.0786700 0.3566400
21 3.3127700 0.1090647
22 1.7725000 -0.5756267
23 0.9173780 -1.4038450
24 0.4692830 1.2015530
25 0.2192670 2.1637410
26 0.1058110 -2.2383990
27 0.0484430 -0.8108372
28 0.0225350 1.4145450
S 28
1 1.22647E+08 -6.513149E-09
2 2.19562E+07 -4.297168E-08
3 4.90233E+06 -2.514831E-07
4 1.31060E+06 -1.141345E-06
5 405228.0000000 -4.494753E-06
6 140757.0000000 -1.502517E-05
7 53625.1000000 -4.703008E-05
8 21976.2000000 -0.0001299433
9 9539.6000000 -0.0003558767
10 4334.3700000 -0.0008684153
11 2042.8900000 -0.00217575
12 992.3080000 -0.004767576
13 494.4460000 -0.01081297
14 251.9070000 -0.02009361
15 130.9050000 -0.03788017
16 69.2368000 -0.04603327
17 37.1847000 -0.04444843
18 20.2157000 0.04721242
19 11.0765000 0.1834186
20 6.0786700 0.5520638
21 3.3127700 -0.04585806
22 1.7725000 -1.2472690
23 0.9173780 -1.4783690
24 0.4692830 4.8207520
25 0.2192670 -3.0078810
26 0.1058110 -1.8911150
27 0.0484430 4.3764350
28 0.0225350 -2.3802170
S 28
1 1.22647E+08 -8.931375E-09
2 2.19562E+07 -6.25768E-08
3 4.90233E+06 -3.389705E-07
4 1.31060E+06 -1.686299E-06
5 405228.0000000 -5.932742E-06
6 140757.0000000 -2.274958E-05
7 53625.1000000 -6.006257E-05
8 21976.2000000 -0.0002033896
9 9539.6000000 -0.0004358911
10 4334.3700000 -0.001410248
11 2042.8900000 -0.00254425
12 992.3080000 -0.008077296
13 494.4460000 -0.01186207
14 251.9070000 -0.03676473
15 130.9050000 -0.03464619
16 69.2368000 -0.1101500
17 37.1847000 0.02928617
18 20.2157000 -0.1149519
19 11.0765000 0.6808841
20 6.0786700 0.3239576
21 3.3127700 0.5267715
22 1.7725000 -5.3925940
23 0.9173780 6.7665820
24 0.4692830 -1.1926540
25 0.2192670 -5.8409860
26 0.1058110 8.5792050
27 0.0484430 -6.4382430
28 0.0225350 2.3839430
S 1
1 4.2382 1.0
S 1
1 1.2505 1.0
S 1
1 0.0225350 1.0000000
P 20
1 59284.9000000 0.0000030
2 14323.6000000 0.0000230
3 4537.2200000 0.0001440
4 1726.5400000 0.0006600
5 741.0750000 0.0025090
6 343.8070000 0.0082940
7 167.8840000 0.0242470
8 85.0394000 0.0622310
9 44.3829000 0.1342200
10 23.7928000 0.2290500
11 13.0536000 0.3003980
12 7.2687200 0.2722610
13 4.0380500 0.1350820
14 2.1929400 0.0260290
15 1.1616200 -0.0003040
16 0.6032500 -0.0014340
17 0.3001740 -0.0006540
18 0.1302640 -0.0000400
19 0.0572980 -0.0000100
20 0.0249520 0.0000010
P 20
1 59284.9000000 -0.0000010
2 14323.6000000 -0.0000080
3 4537.2200000 -0.0000480
4 1726.5400000 -0.0002210
5 741.0750000 -0.0008440
6 343.8070000 -0.0028020
7 167.8840000 -0.0082780
8 85.0394000 -0.0216350
9 44.3829000 -0.0480470
10 23.7928000 -0.0846650
11 13.0536000 -0.1167480
12 7.2687200 -0.1071290
13 4.0380500 0.0190880
14 2.1929400 0.2461940
15 1.1616200 0.4013780
16 0.6032500 0.3415650
17 0.3001740 0.1268890
18 0.1302640 0.0113200
19 0.0572980 0.0006740
20 0.0249520 0.0000580
P 20
1 59284.9000000 0.0000010
2 14323.6000000 0.0000040
3 4537.2200000 0.0000300
4 1726.5400000 0.0001260
5 741.0750000 0.0005190
6 343.8070000 0.0016020
7 167.8840000 0.0050910
8 85.0394000 0.0123720
9 44.3829000 0.0298140
10 23.7928000 0.0477590
11 13.0536000 0.0782150
12 7.2687200 0.0582600
13 4.0380500 0.0051280
14 2.1929400 -0.2393170
15 1.1616200 -0.3989020
16 0.6032500 -0.3113740
17 0.3001740 1.2502300
18 0.1302640 0.2790480
19 0.0572980 -0.8988870
20 0.0249520 -0.0689990
P 20
1 59284.9000000 -0.0000010
2 14323.6000000 -0.0000070
3 4537.2200000 -0.0000300
4 1726.5400000 -0.0001900
5 741.0750000 -0.0005300
6 343.8070000 -0.0023950
7 167.8840000 -0.0052020
8 85.0394000 -0.0185070
9 44.3829000 -0.0291190
10 23.7928000 -0.0778450
11 13.0536000 -0.0607780
12 7.2687200 -0.1826750
13 4.0380500 0.1166390
14 2.1929400 0.2993610
15 1.1616200 1.2320890
16 0.6032500 -1.8942480
17 0.3001740 -0.3673190
18 0.1302640 2.0107700
19 0.0572980 -1.1868670
20 0.0249520 -0.1382480
P 20
1 59284.9000000 -0.0000010
2 14323.6000000 -0.0000080
3 4537.2200000 -0.0000510
4 1726.5400000 -0.0002160
5 741.0750000 -0.0008980
6 343.8070000 -0.0027390
7 167.8840000 -0.0088510
8 85.0394000 -0.0213880
9 44.3829000 -0.0525740
10 23.7928000 -0.0825050
11 13.0536000 -0.1344340
12 7.2687200 -0.1828100
13 4.0380500 0.0962330
14 2.1929400 1.4455690
15 1.1616200 -0.5030230
16 0.6032500 -2.9722360
17 0.3001740 4.2730430
18 0.1302640 -2.8303710
19 0.0572980 0.7500080
20 0.0249520 0.3668630
P 19
1 14323.6000000 0.0000020
2 4537.2200000 0.0000120
3 1726.5400000 0.0000530
4 741.0750000 0.0002030
5 343.8070000 0.0006700
6 167.8840000 0.0019960
7 85.0394000 0.0051890
8 44.3829000 0.0116400
9 23.7928000 0.0203750
10 13.0536000 0.0287140
11 7.2687200 0.0257260
12 4.0380500 -0.0066880
13 2.1929400 -0.0719850
14 1.1616200 -0.1184150
15 0.6032500 -0.1300000
16 0.3001740 0.0307110
17 0.1302640 0.3791430
18 0.0572980 0.5276150
19 0.0249520 0.2007150
P 19
1 14323.6000000 0.0000020
2 4537.2200000 0.0000140
3 1726.5400000 0.0000660
4 741.0750000 0.0002520
5 343.8070000 0.0008330
6 167.8840000 0.0024740
7 85.0394000 0.0064430
8 44.3829000 0.0144110
9 23.7928000 0.0253150
10 13.0536000 0.0354780
11 7.2687200 0.0321850
12 4.0380500 -0.0077320
13 2.1929400 -0.0869160
14 1.1616200 -0.1425800
15 0.6032500 -0.1704350
16 0.3001740 0.0067360
17 0.1302640 0.5966850
18 0.0572980 0.4753380
19 0.0249520 0.0300960
P 1
1 5.7716 1.0
P 1
1 1.6512 1.0
P 1
1 0.0249520 1.0000000
D 12
1 249.3560000 0.0002310
2 74.7483000 0.0020800
3 28.9399000 0.0105420
4 12.5279000 0.0353670
5 5.7343100 0.0926070
6 2.7453100 0.1831320
7 1.3321200 0.2650160
8 0.6410880 0.3000210
9 0.3027810 0.2673900
10 0.1390530 0.1713110
11 0.0620290 0.0589290
12 0.02643956 0.0045060
D 12
1 249.3560000 -0.0002340
2 74.7483000 -0.0021150
3 28.9399000 -0.0107420
4 12.5279000 -0.0363340
5 5.7343100 -0.0971000
6 2.7453100 -0.1877290
7 1.3321200 -0.2464470
8 0.6410880 -0.1829140
9 0.3027810 0.1364430
10 0.1390530 0.4735860
11 0.0620290 0.3669010
12 0.02643956 0.0602210
D 12
1 249.3560000 -0.0003770
2 74.7483000 -0.0033820
3 28.9399000 -0.0174880
4 12.5279000 -0.0595610
5 5.7343100 -0.1639910
6 2.7453100 -0.2958230
7 1.3321200 -0.2674980
8 0.6410880 0.2425250
9 0.3027810 0.7002880
10 0.1390530 -0.0562280
11 0.0620290 -0.5893560
12 0.02643956 -0.1359390
D 12
1 249.3560000 -0.0004520
2 74.7483000 -0.0038430
3 28.9399000 -0.0209800
4 12.5279000 -0.0691410
5 5.7343100 -0.2118930
6 2.7453100 -0.3288390
7 1.3321200 -0.0835100
8 0.6410880 1.0396670
9 0.3027810 -0.2452340
10 0.1390530 -1.0656140
11 0.0620290 0.7625840
12 0.02643956 0.2634500
D 12
1 249.3560000 -0.0005630
2 74.7483000 -0.0065570
3 28.9399000 -0.0280350
4 12.5279000 -0.1243040
5 5.7343100 -0.2980530
6 2.7453100 -0.5085580
7 1.3321200 1.0461210
8 0.6410880 0.3615210
9 0.3027810 -1.8823220
10 0.1390530 1.7474600
11 0.0620290 -0.4512010
12 0.02643956 -0.3736230
D 1
1 3.4503 1.0
D 1
1 1.9447 1.0
D 1
1 0.02643956 1.0000000
F 1
1 5.1180 1.0
F 1
1 2.2074 1.0
F 1
1 0.9521 1.0
F 1
1 0.4106 1.0
F 1
1 0.1295000 1.0000000
G 1
1 4.0075 1.0
G 1
1 1.8242 1.0
G 1
1 0.8303 1.0
G 1
1 0.2569000 1.0000000
H 1
1 3.6212 1.0
H 1
1 1.5512 1.0
H 1
1 0.5103000 1.0000000
I 1
1 3.1821 1.0
I 1
1 1.0105000 1.0000000
basis
2020-01-17 13:57:03 +01:00
clean up basis sets
2020-10-26 14:52:11 +01:00
VANADIUM
S 28
1 1.28349E+08 7.559082E-08
2 2.29044E+07 5.044461E-07
3 5.10777E+06 2.926152E-06
4 1.36528E+06 1.342415E-05
5 422228.0000000 5.213143E-05
6 146685.0000000 0.0001771205
7 55872.3000000 0.0005432404
8 22881.3000000 0.001537734
9 9920.4500000 0.004081932
10 4499.9200000 0.01024296
11 2116.7500000 0.02429719
12 1026.0600000 0.05382741
13 510.2570000 0.1083046
14 259.5320000 0.1877510
15 134.7090000 0.2548794
16 71.2104000 0.2275392
17 38.2496000 0.1075294
18 20.8102000 0.05099967
19 11.4158000 0.09479662
20 6.2730200 0.09804244
21 3.4217700 0.03562689
22 1.8304400 0.003443702
23 0.9452350 0.0002031152
24 0.4759280 -4.464829E-05
25 0.1863810 6.908941E-06
26 0.1067680 7.077376E-06
27 0.0499790 1.99325E-05
28 0.0235010 5.944142E-06
S 28
1 1.28349E+08 -4.233311E-08
2 2.29044E+07 -2.825169E-07
3 5.10777E+06 -1.638725E-06
4 1.36528E+06 -7.518519E-06
5 422228.0000000 -2.919695E-05
6 146685.0000000 -9.922464E-05
7 55872.3000000 -0.0003044176
8 22881.3000000 -0.0008626493
9 9920.4500000 -0.002294364
10 4499.9200000 -0.005784361
11 2116.7500000 -0.01384521
12 1026.0600000 -0.03125257
13 510.2570000 -0.06517593
14 259.5320000 -0.1212452
15 134.7090000 -0.1887922
16 71.2104000 -0.2160891
17 38.2496000 -0.1207730
18 20.8102000 0.1189207
19 11.4158000 0.4145044
20 6.2730200 0.4365960
21 3.4217700 0.1587686
22 1.8304400 0.01503861
23 0.9452350 -0.000313797
24 0.4759280 -0.0007231998
25 0.1863810 -5.19245E-05
26 0.1067680 6.46642E-05
27 0.0499790 7.544843E-05
28 0.0235010 2.849538E-05
S 28
1 1.28349E+08 8.764631E-09
2 2.29044E+07 5.850453E-08
3 5.10777E+06 3.392632E-07
4 1.36528E+06 1.557075E-06
5 422228.0000000 6.044595E-06
6 146685.0000000 2.055506E-05
7 55872.3000000 6.304706E-05
8 22881.3000000 0.0001789327
9 9920.4500000 0.0004763534
10 4499.9200000 0.001206681
11 2116.7500000 0.00290738
12 1026.0600000 0.006671537
13 510.2570000 0.01429445
14 259.5320000 0.02805248
15 134.7090000 0.04764851
16 71.2104000 0.0623929
17 38.2496000 0.0381530
18 20.8102000 -0.05632949
19 11.4158000 -0.2394515
20 6.2730200 -0.3730611
21 3.4217700 -0.1378359
22 1.8304400 0.3654197
23 0.9452350 0.6074602
24 0.4759280 0.3015966
25 0.1863810 0.02613175
26 0.1067680 -0.004555459
27 0.0499790 0.003357216
28 0.0235010 0.0002523466
S 28
1 1.28349E+08 -2.028614E-09
2 2.29044E+07 -1.354229E-08
3 5.10777E+06 -7.852223E-08
4 1.36528E+06 -3.604305E-07
5 422228.0000000 -1.398979E-06
6 146685.0000000 -4.758252E-06
7 55872.3000000 -1.459127E-05
8 22881.3000000 -4.142355E-05
9 9920.4500000 -0.0001102431
10 4499.9200000 -0.0002793901
11 2116.7500000 -0.0006729388
12 1026.0600000 -0.001545358
13 510.2570000 -0.003310669
14 259.5320000 -0.006508065
15 134.7090000 -0.01106511
16 71.2104000 -0.01456548
17 38.2496000 -0.008920511
18 20.8102000 0.01323718
19 11.4158000 0.05853341
20 6.2730200 0.09535172
21 3.4217700 0.03433249
22 1.8304400 -0.1099505
23 0.9452350 -0.2173991
24 0.4759280 -0.2237757
25 0.1863810 -0.01020157
26 0.1067680 0.4012464
27 0.0499790 0.5727820
28 0.0235010 0.1966537
S 28
1 1.28349E+08 -3.919381E-09
2 2.29044E+07 -2.603331E-08
3 5.10777E+06 -1.519192E-07
4 1.36528E+06 -6.920024E-07
5 422228.0000000 -2.711224E-06
6 146685.0000000 -9.115965E-06
7 55872.3000000 -2.835051E-05
8 22881.3000000 -7.912836E-05
9 9920.4500000 -0.0002148784
10 4499.9200000 -0.000531965
11 2116.7500000 -0.001316357
12 1026.0600000 -0.002931813
13 510.2570000 -0.006511894
14 259.5320000 -0.01226756
15 134.7090000 -0.02210677
16 71.2104000 -0.02664568
17 38.2496000 -0.02085328
18 20.8102000 0.03285405
19 11.4158000 0.1037039
20 6.2730200 0.2240209
21 3.4217700 0.02243918
22 1.8304400 -0.2269588
23 0.9452350 -0.7256302
24 0.4759280 -0.02136386
25 0.1863810 1.2267190
26 0.1067680 0.5355637
27 0.0499790 -0.6820891
28 0.0235010 -0.6109558
S 28
1 1.28349E+08 -6.06916E-09
2 2.29044E+07 -4.016055E-08
3 5.10777E+06 -2.354898E-07
4 1.36528E+06 -1.066503E-06
5 422228.0000000 -4.207968E-06
6 146685.0000000 -1.402663E-05
7 55872.3000000 -4.408568E-05
8 22881.3000000 -0.0001214852
9 9920.4500000 -0.0003349349
10 4499.9200000 -0.0008147638
11 2116.7500000 -0.002057575
12 1026.0600000 -0.004479489
13 510.2570000 -0.0102264
14 259.5320000 -0.01867514
15 134.7090000 -0.03518784
16 71.2104000 -0.03981114
17 38.2496000 -0.03673509
18 20.8102000 0.05969102
19 11.4158000 0.1588361
20 6.2730200 0.4222280
21 3.4217700 -0.03835624
22 1.8304400 -0.6567155
23 0.9452350 -1.4574620
24 0.4759280 2.0698680
25 0.1863810 1.6542810
26 0.1067680 -2.8048020
27 0.0499790 -0.1989010
28 0.0235010 1.1959480
S 28
1 1.28349E+08 -7.37951E-09
2 2.29044E+07 -4.984396E-08
3 5.10777E+06 -2.846693E-07
4 1.36528E+06 -1.330646E-06
5 422228.0000000 -5.051098E-06
6 146685.0000000 -1.765499E-05
7 55872.3000000 -5.23595E-05
8 22881.3000000 -0.0001547542
9 9920.4500000 -0.0003926928
10 4499.9200000 -0.001052087
11 2116.7500000 -0.002379149
12 1026.0600000 -0.005879989
13 510.2570000 -0.01160458
14 259.5320000 -0.02534133
15 134.7090000 -0.03801562
16 71.2104000 -0.06218123
17 38.2496000 -0.01933881
18 20.8102000 0.01617214
19 11.4158000 0.3477025
20 6.2730200 0.4361287
21 3.4217700 0.003649234
22 1.8304400 -2.0758320
23 0.9452350 0.2889184
24 0.4759280 3.5216890
25 0.1863810 -4.7346100
26 0.1067680 1.2067910
27 0.0499790 2.9598040
28 0.0235010 -2.0423490
S 28
1 1.28349E+08 -9.582444E-09
2 2.29044E+07 -6.716611E-08
3 5.10777E+06 -3.657711E-07
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S 1
1 4.6695 1.0
S 1
1 1.5040 1.0
S 1
1 0.0235010 1.0000000
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P 20
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P 19
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P 19
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P 1
1 6.7089 1.0
P 1
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P 1
1 0.0269220 1.0000000
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D 1
1 4.2946 1.0
D 1
1 2.5067 1.0
D 1
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F 1
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F 1
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F 1
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F 1
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F 1
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G 1
1 4.8016 1.0
G 1
1 2.2620 1.0
G 1
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G 1
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H 1
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H 1
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H 1
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I 1
1 4.2111 1.0
I 1
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CHROMIUM
S 28
1 1.35540E+08 7.860909E-08
2 2.42404E+07 5.230504E-07
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4 1.44792E+06 1.3889E-05
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24 0.5129130 -1.653905E-05
25 0.1947980 4.265747E-06
26 0.1109690 1.479579E-05
27 0.0521230 2.379865E-05
28 0.0244890 8.057056E-06
S 28
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26 0.1109690 0.0001017909
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28 0.0244890 3.855414E-05
S 28
1 1.35540E+08 9.262175E-09
2 2.42404E+07 6.164427E-08
3 5.41227E+06 3.570946E-07
4 1.44792E+06 1.637074E-06
5 448199.0000000 6.346275E-06
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S 28
1 1.35540E+08 -2.100265E-09
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S 28
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S 28
1 1.35540E+08 -6.488897E-09
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S 28
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S 28
1 1.35540E+08 -1.001431E-08
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S 1
1 5.2741 1.0
S 1
1 1.7645 1.0
S 1
1 0.0244890 1.0000000
P 20
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3 5678.2800000 0.0001370
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5 905.8550000 0.0025110
6 415.6450000 0.0084470
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P 20
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17 0.3733100 0.1195440
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P 20
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4 2138.7500000 0.0001350
5 905.8550000 0.0005720
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P 20
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5 905.8550000 0.0006460
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19 0.0674840 1.1431100
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P 20
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17 0.3733100 3.6358120
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P 19
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11 8.8638500 -0.0250470
12 4.9433400 0.0102820
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16 0.3733100 -0.0450520
17 0.1577120 -0.3724610
18 0.0674840 -0.5207620
19 0.0285950 -0.2097160
P 19
1 17890.9000000 0.0000020
2 5678.2800000 0.0000140
3 2138.7500000 0.0000670
4 905.8550000 0.0002620
5 415.6450000 0.0008810
6 201.6950000 0.0026350
7 102.0400000 0.0068590
8 53.3955000 0.0152810
9 28.7570000 0.0268000
10 15.8536000 0.0374690
11 8.8638500 0.0322580
12 4.9433400 -0.0124160
13 2.6973200 -0.0943420
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15 0.7485180 -0.1595740
16 0.3733100 0.0422640
17 0.1577120 0.6008800
18 0.0674840 0.4537120
19 0.0285950 0.0254200
P 1
1 7.6986 1.0
P 1
1 2.2682 1.0
P 1
1 0.0285950 1.0000000
D 12
1 384.3240000 0.0001660
2 115.6210000 0.0015330
3 44.8478000 0.0082730
4 19.6129000 0.0296280
5 9.1008300 0.0804320
6 4.4183200 0.1682550
7 2.1828700 0.2573470
8 1.0684000 0.3013010
9 0.5106240 0.2754300
10 0.2351410 0.1820770
11 0.1028360 0.0675340
12 0.0414250 0.0061110
D 12
1 384.3240000 -0.0001870
2 115.6210000 -0.0017360
3 44.8478000 -0.0094250
4 19.6129000 -0.0339690
5 9.1008300 -0.0949620
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8 1.0684000 -0.1771220
9 0.5106240 0.1388050
10 0.2351410 0.4526330
11 0.1028360 0.3742040
12 0.0414250 0.0662000
D 12
1 384.3240000 -0.0002700
2 115.6210000 -0.0024910
3 44.8478000 -0.0136900
4 19.6129000 -0.0497520
5 9.1008300 -0.1445960
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8 1.0684000 0.2057700
9 0.5106240 0.6868800
10 0.2351410 0.0068000
11 0.1028360 -0.6314930
12 0.0414250 -0.1571420
D 12
1 384.3240000 -0.0003980
2 115.6210000 -0.0034880
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4 19.6129000 -0.0719540
5 9.1008300 -0.2362580
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9 0.5106240 -0.2422900
10 0.2351410 -1.0046230
11 0.1028360 0.6909580
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D 12
1 384.3240000 0.0004530
2 115.6210000 0.0048530
3 44.8478000 0.0241550
4 19.6129000 0.1054670
5 9.1008300 0.3238140
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9 0.5106240 1.8302970
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11 0.1028360 0.3024500
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D 1
1 5.2049 1.0
D 1
1 3.1409 1.0
D 1
1 0.0414250 1.0000000
F 1
1 8.1795 1.0
F 1
1 3.5529 1.0
F 1
1 1.5433 1.0
F 1
1 0.6704 1.0
F 1
1 0.2182000 1.0000000
G 1
1 5.5388 1.0
G 1
1 2.6392 1.0
G 1
1 1.2576 1.0
G 1
1 0.4318000 1.0000000
H 1
1 5.1844 1.0
H 1
1 2.3556 1.0
H 1
1 0.8770000 1.0000000
I 1
1 5.1988 1.0
I 1
1 2.1131000 1.0000000
MANGANESE
S 28
1 1.37766E+08 8.842975E-08
2 2.45640E+07 5.905615E-07
3 5.47999E+06 3.42133E-06
4 1.46664E+06 1.566036E-05
5 454421.0000000 6.063846E-05
6 158216.0000000 0.0002053663
7 60404.3000000 0.000627818
8 24793.6000000 0.001771534
9 10772.3000000 0.004687682
10 4895.5400000 0.01172341
11 2306.5600000 0.02769121
12 1119.5600000 0.06096465
13 557.3810000 0.1213985
14 283.7780000 0.2067236
15 147.4360000 0.2716552
16 78.0227000 0.2296262
17 41.9679000 0.09993531
18 22.8778000 0.04335678
19 12.5845000 0.07097637
20 6.9417000 0.06195771
21 3.8062900 0.01878693
22 2.0503100 0.001455711
23 1.0683800 -5.045613E-05
24 0.5366060 -8.380837E-05
25 0.1832600 -9.776338E-07
26 0.1052970 9.779516E-06
27 0.0514640 1.146026E-05
28 0.0246780 3.964203E-06
S 28
1 1.37766E+08 -4.218706E-08
2 2.45640E+07 -2.817388E-07
3 5.47999E+06 -1.632223E-06
4 1.46664E+06 -7.471311E-06
5 454421.0000000 -2.893181E-05
6 158216.0000000 -9.800407E-05
7 60404.3000000 -0.0002997548
8 24793.6000000 -0.0008468121
9 10772.3000000 -0.002246523
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14 283.7780000 -0.1169586
15 147.4360000 -0.1804917
16 78.0227000 -0.1999569
17 41.9679000 -0.09135649
18 22.8778000 0.1705224
19 12.5845000 0.4562984
20 6.9417000 0.4058134
21 3.8062900 0.1228205
22 2.0503100 0.009020458
23 1.0683800 -0.001825436
24 0.5366060 -0.001093262
25 0.1832600 -8.298619E-05
26 0.1052970 0.0001053172
27 0.0514640 5.625668E-05
28 0.0246780 2.887828E-05
S 28
1 1.37766E+08 1.015457E-08
2 2.45640E+07 6.782945E-08
3 5.47999E+06 3.928614E-07
4 1.46664E+06 1.798871E-06
5 454421.0000000 6.963577E-06
6 158216.0000000 2.360275E-05
7 60404.3000000 7.217248E-05
8 24793.6000000 0.0002041835
9 10772.3000000 0.0005421183
10 4895.5400000 0.001369241
11 2306.5600000 0.003290005
12 1119.5600000 0.007518812
13 557.3810000 0.01602116
14 283.7780000 0.03113189
15 147.4360000 0.05187931
16 78.0227000 0.0645544
17 41.9679000 0.03109453
18 22.8778000 -0.08134397
19 12.5845000 -0.2830847
20 6.9417000 -0.3683282
21 3.8062900 -0.05599023
22 2.0503100 0.4285509
23 1.0683800 0.5819623
24 0.5366060 0.2496080
25 0.1832600 0.01728022
26 0.1052970 -0.004795031
27 0.0514640 0.003440433
28 0.0246780 8.122912E-05
S 28
1 1.37766E+08 -2.246625E-09
2 2.45640E+07 -1.500767E-08
3 5.47999E+06 -8.691633E-08
4 1.46664E+06 -3.980171E-07
5 454421.0000000 -1.540586E-06
6 158216.0000000 -5.222482E-06
7 60404.3000000 -1.596671E-05
8 24793.6000000 -4.518135E-05
9 10772.3000000 -0.0001199336
10 4895.5400000 -0.0003030247
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13 557.3810000 -0.003547631
14 283.7780000 -0.00690479
15 147.4360000 -0.01152342
16 78.0227000 -0.01441381
17 41.9679000 -0.006961783
18 22.8778000 0.01838929
19 12.5845000 0.0665831
20 6.9417000 0.09026754
21 3.8062900 0.01114062
22 2.0503100 -0.1232779
23 1.0683800 -0.2094592
24 0.5366060 -0.1925129
25 0.1832600 0.0752431
26 0.1052970 0.4096457
27 0.0514640 0.5138881
28 0.0246780 0.1648146
S 28
1 1.37766E+08 -4.534252E-09
2 2.45640E+07 -3.003406E-08
3 5.47999E+06 -1.758309E-07
4 1.46664E+06 -7.947986E-07
5 454421.0000000 -3.125609E-06
6 158216.0000000 -1.039025E-05
7 60404.3000000 -3.253639E-05
8 24793.6000000 -8.943434E-05
9 10772.3000000 -0.0002457164
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12 1119.5600000 -0.003255209
13 557.3810000 -0.007379623
14 283.7780000 -0.01333239
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16 78.0227000 -0.02607861
17 41.9679000 -0.02088826
18 22.8778000 0.05123107
19 12.5845000 0.1130295
20 6.9417000 0.2466771
21 3.8062900 -0.06508546
22 2.0503100 -0.2324403
23 1.0683800 -0.7884686
24 0.5366060 0.2571250
25 0.1832600 1.4735000
26 0.1052970 -0.01641997
27 0.0514640 -0.6176794
28 0.0246780 -0.5285905
S 28
1 1.37766E+08 -7.148E-09
2 2.45640E+07 -4.720068E-08
3 5.47999E+06 -2.774238E-07
4 1.46664E+06 -1.248083E-06
5 454421.0000000 -4.936711E-06
6 158216.0000000 -1.629371E-05
7 60404.3000000 -5.147115E-05
8 24793.6000000 -0.0001399872
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12 1119.5600000 -0.005075251
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14 283.7780000 -0.02073168
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16 78.0227000 -0.0398361
17 41.9679000 -0.03723219
18 22.8778000 0.09006454
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24 0.5366060 2.4127970
25 0.1832600 0.7227795
26 0.1052970 -2.5218430
27 0.0514640 0.3302503
28 0.0246780 0.9572311
S 28
1 1.37766E+08 8.949441E-09
2 2.45640E+07 6.11075E-08
3 5.47999E+06 3.441033E-07
4 1.46664E+06 1.62958E-06
5 454421.0000000 6.052563E-06
6 158216.0000000 2.158213E-05
7 60404.3000000 6.199578E-05
8 24793.6000000 0.0001890931
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13 557.3810000 0.01311149
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15 147.4360000 0.04028608
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17 41.9679000 -0.003929039
18 22.8778000 -0.008212308
19 12.5845000 -0.5082019
20 6.9417000 -0.3343452
21 3.8062900 0.08969441
22 2.0503100 2.7884720
23 1.0683800 -2.2387070
24 0.5366060 -1.6215140
25 0.1832600 5.0502260
26 0.1052970 -3.4580400
27 0.0514640 -1.2850680
28 0.0246780 1.5927080
S 28
1 1.37766E+08 -1.066381E-08
2 2.45640E+07 -7.316027E-08
3 5.47999E+06 -4.095669E-07
4 1.46664E+06 -1.952973E-06
5 454421.0000000 -7.192587E-06
6 158216.0000000 -2.591346E-05
7 60404.3000000 -7.34907E-05
8 24793.6000000 -0.0002276235
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10 4895.5400000 -0.001553473
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13 557.3810000 -0.01543349
14 283.7780000 -0.03803991
15 147.4360000 -0.04719394
16 78.0227000 -0.09654593
17 41.9679000 0.01102053
18 22.8778000 0.002268643
19 12.5845000 0.7235714
20 6.9417000 0.6284262
21 3.8062900 -1.3868730
22 2.0503100 -3.6182300
23 1.0683800 8.7472240
24 0.5366060 -6.9446930
25 0.1832600 1.9204040
26 0.1052970 2.7673240
27 0.0514640 -4.8034180
28 0.0246780 2.3026070
S 1
1 5.8221 1.0
S 1
1 1.9916 1.0
S 1
1 0.0246780 1.0000000
P 20
1 79296.8000000 -0.0000010
2 19317.1000000 -0.0000080
3 6114.1000000 -0.0000490
4 2316.2600000 -0.0002260
5 989.6900000 -0.0008670
6 457.9420000 -0.0028990
7 223.6420000 -0.0085880
8 113.5940000 -0.0224810
9 59.5621000 -0.0500630
10 32.1072000 -0.0890050
11 17.7103000 -0.1231560
12 9.9062100 -0.1081330
13 5.5224300 0.0330910
14 3.0083200 0.2649160
15 1.5987300 0.4034830
16 0.8308680 0.3248540
17 0.4135380 0.1174300
18 0.1711080 0.0101160
19 0.0721660 0.0001390
20 0.0301650 0.0001340
P 20
1 79296.8000000 0.0000010
2 19317.1000000 0.0000050
3 6114.1000000 0.0000340
4 2316.2600000 0.0001430
5 989.6900000 0.0005980
6 457.9420000 0.0018360
7 223.6420000 0.0059260
8 113.5940000 0.0142470
9 59.5621000 0.0349660
10 32.1072000 0.0555390
11 17.7103000 0.0932280
12 9.9062100 0.0637480
13 5.5224300 -0.0048200
14 3.0083200 -0.3313960
15 1.5987300 -0.4086080
16 0.8308680 -0.1206320
17 0.4135380 1.2130530
18 0.1711080 0.0834220
19 0.0721660 -0.7984570
20 0.0301650 -0.0350520
P 20
1 79296.8000000 0.0000010
2 19317.1000000 0.0000080
3 6114.1000000 0.0000380
4 2316.2600000 0.0002180
5 989.6900000 0.0006870
6 457.9420000 0.0028050
7 223.6420000 0.0068190
8 113.5940000 0.0219170
9 59.5621000 0.0391730
10 32.1072000 0.0916730
11 17.7103000 0.0889890
12 9.9062100 0.1938430
13 5.5224300 -0.1670910
14 3.0083200 -0.6030080
15 1.5987300 -0.7469800
16 0.8308680 1.9864650
17 0.4135380 -0.2640370
18 0.1711080 -1.5278200
19 0.0721660 1.1102770
20 0.0301650 0.0757560
P 20
1 79296.8000000 -0.0000010
2 19317.1000000 -0.0000090
3 6114.1000000 -0.0000610
4 2316.2600000 -0.0002580
5 989.6900000 -0.0010900
6 457.9420000 -0.0033360
7 223.6420000 -0.0108790
8 113.5940000 -0.0262170
9 59.5621000 -0.0651420
10 32.1072000 -0.1036590
11 17.7103000 -0.1798150
12 9.9062100 -0.2372120
13 5.5224300 0.4289330
14 3.0083200 1.7159450
15 1.5987300 -2.1889430
16 0.8308680 -0.7886070
17 0.4135380 2.9045500
18 0.1711080 -2.4975380
19 0.0721660 0.9969160
20 0.0301650 0.1529780
P 19
1 79296.8000000 0.0000030
2 19317.1000000 0.0000230
3 6114.1000000 0.0001400
4 2316.2600000 0.0006490
5 989.6900000 0.0024900
6 457.9420000 0.0082780
7 223.6420000 0.0242560
8 113.5940000 0.0622630
9 59.5621000 0.1344250
10 32.1072000 0.2305460
11 17.7103000 0.3028020
12 9.9062100 0.2709290
13 5.5224300 0.1311240
14 3.0083200 0.0238760
15 1.5987300 -0.0013330
16 0.8308680 -0.0022010
17 0.4135380 -0.0008920
18 0.1711080 -0.0000580
19 0.0721660 -0.0000060
P 19
1 19317.1000000 -0.0000020
2 6114.1000000 -0.0000110
3 2316.2600000 -0.0000520
4 989.6900000 -0.0002010
5 457.9420000 -0.0006640
6 223.6420000 -0.0019890
7 113.5940000 -0.0051630
8 59.5621000 -0.0116530
9 32.1072000 -0.0204990
10 17.7103000 -0.0291510
11 9.9062100 -0.0246150
12 5.5224300 0.0097150
13 3.0083200 0.0754410
14 1.5987300 0.1132040
15 0.8308680 0.1117760
16 0.4135380 -0.0440690
17 0.1711080 -0.3663240
18 0.0721660 -0.5217500
19 0.0301650 -0.2171860
P 19
1 19317.1000000 0.0000020
2 6114.1000000 0.0000150
3 2316.2600000 0.0000690
4 989.6900000 0.0002680
5 457.9420000 0.0008870
6 223.6420000 0.0026510
7 113.5940000 0.0068870
8 59.5621000 0.0155180
9 32.1072000 0.0273590
10 17.7103000 0.0388620
11 9.9062100 0.0331240
12 5.5224300 -0.0123220
13 3.0083200 -0.0993820
14 1.5987300 -0.1521070
15 0.8308680 -0.1564310
16 0.4135380 0.0650050
17 0.1711080 0.6060200
18 0.0721660 0.4366030
19 0.0301650 0.0225950
P 1
1 8.8112 1.0
P 1
1 2.6893 1.0
P 1
1 0.0301650 1.0000000
D 12
1 435.1000000 0.0001640
2 130.9820000 0.0015220
3 50.8816000 0.0082730
4 22.3008000 0.0300090
5 10.3552000 0.0825800
6 5.0152100 0.1735770
7 2.4679300 0.2626510
8 1.2036900 0.2984790
9 0.5741520 0.2656810
10 0.2641140 0.1802830
11 0.1151280 0.0766130
12 0.0460820 0.0107650
D 12
1 435.1000000 -0.0001670
2 130.9820000 -0.0015520
3 50.8816000 -0.0084650
4 22.3008000 -0.0308790
5 10.3552000 -0.0869740
6 5.0152100 -0.1838990
7 2.4679300 -0.2523340
8 1.2036900 -0.1705240
9 0.5741520 0.1226330
10 0.2641140 0.4216570
11 0.1151280 0.4069480
12 0.0460820 0.1058680
D 12
1 435.1000000 -0.0002640
2 130.9820000 -0.0024650
3 50.8816000 -0.0135790
4 22.3008000 -0.0501340
5 10.3552000 -0.1470570
6 5.0152100 -0.3005680
7 2.4679300 -0.2747340
8 1.2036900 0.1995370
9 0.5741520 0.6304240
10 0.2641140 0.0936480
11 0.1151280 -0.5780320
12 0.0460820 -0.2306030
D 12
1 435.1000000 -0.0003350
2 130.9820000 -0.0031170
3 50.8816000 -0.0173510
4 22.3008000 -0.0644280
5 10.3552000 -0.2031970
6 5.0152100 -0.4122630
7 2.4679300 -0.0104480
8 1.2036900 0.9383060
9 0.5741520 -0.1067180
10 0.2641140 -0.9815340
11 0.1151280 0.4637150
12 0.0460820 0.4147340
D 12
1 435.1000000 0.0004280
2 130.9820000 0.0040650
3 50.8816000 0.0224800
4 22.3008000 0.0881960
5 10.3552000 0.3015230
6 5.0152100 0.4548760
7 2.4679300 -0.8562740
8 1.2036900 -0.4854470
9 0.5741520 1.6097040
10 0.2641140 -1.0002050
11 0.1151280 -0.3451560
12 0.0460820 0.7609580
D 1
1 5.9895 1.0
D 1
1 3.5751 1.0
D 1
1 0.0460820 1.0000000
F 1
1 9.5173 1.0
F 1
1 4.1658 1.0
F 1
1 1.8234 1.0
F 1
1 0.7981 1.0
F 1
1 0.2643000 1.0000000
G 1
1 6.4935 1.0
G 1
1 3.1366 1.0
G 1
1 1.5151 1.0
G 1
1 0.5401000 1.0000000
H 1
1 6.0137 1.0
H 1
1 2.7877 1.0
H 1
1 1.0793000 1.0000000
I 1
1 6.1023 1.0
I 1
1 2.6052000 1.0000000
IRON
S 28
1 1.49769E+08 8.65756E-08
2 2.67225E+07 5.77912E-07
3 5.95900E+06 3.351645E-06
4 1.59361E+06 1.535765E-05
5 493464.0000000 5.94969E-05
6 171790.0000000 0.0002014152
7 65620.9000000 0.0006149037
8 26965.6000000 0.001731321
9 11735.3000000 0.004569368
10 5343.4300000 0.01139791
11 2522.5000000 0.02686784
12 1226.4300000 0.05910762
13 611.2690000 0.1178426
14 311.3080000 0.2013762
15 161.6240000 0.2660774
16 85.3767000 0.2259862
17 45.7911000 0.0989389
18 24.8677000 0.04932559
19 13.6202000 0.08604376
20 7.4810600 0.07322462
21 4.0881700 0.0211745
22 2.1990500 0.001623143
23 1.1481500 1.197242E-06
24 0.5772650 -5.963673E-05
25 0.1976350 -7.981802E-07
26 0.1089860 9.664711E-06
27 0.0532160 9.1322E-06
28 0.0255710 3.554072E-06
S 28
1 1.49769E+08 -4.466833E-08
2 2.67225E+07 -2.981708E-07
3 5.95900E+06 -1.729284E-06
4 1.59361E+06 -7.923933E-06
5 493464.0000000 -3.070041E-05
6 171790.0000000 -0.0001039495
7 65620.9000000 -0.0003175045
8 26965.6000000 -0.0008949487
9 11735.3000000 -0.002367812
10 5343.4300000 -0.005936926
11 2522.5000000 -0.01414486
12 1226.4300000 -0.03178413
13 611.2690000 -0.0660463
14 311.3080000 -0.1222703
15 161.6240000 -0.1886920
16 85.3767000 -0.2090970
17 45.7911000 -0.09698896
18 24.8677000 0.1731916
19 13.6202000 0.4624772
20 7.4810600 0.3998340
21 4.0881700 0.1152408
22 2.1990500 0.008408747
23 1.1481500 -0.00129691
24 0.5772650 -0.0007550238
25 0.1976350 -6.907416E-05
26 0.1089860 8.777604E-05
27 0.0532160 3.250702E-05
28 0.0255710 2.225447E-05
S 28
1 1.49769E+08 1.025471E-08
2 2.67225E+07 6.846679E-08
3 5.95900E+06 3.96979E-07
4 1.59361E+06 1.819651E-06
5 493464.0000000 7.047651E-06
6 171790.0000000 2.387774E-05
7 65620.9000000 7.291472E-05
8 26965.6000000 0.0002058392
9 11735.3000000 0.0005451035
10 5343.4300000 0.001373278
11 2522.5000000 0.003293117
12 1226.4300000 0.007520746
13 611.2690000 0.01604652
14 311.3080000 0.03130265
15 161.6240000 0.05252865
16 85.3767000 0.06605295
17 45.7911000 0.03249377
18 24.8677000 -0.08476809
19 13.6202000 -0.2950180
20 7.4810600 -0.3709547
21 4.0881700 -0.03464813
22 2.1990500 0.4462486
23 1.1481500 0.5717586
24 0.5772650 0.2348678
25 0.1976350 0.01506233
26 0.1089860 -0.003437339
27 0.0532160 0.003254188
28 0.0255710 0.000134604
S 28
1 1.49769E+08 -2.217427E-09
2 2.67225E+07 -1.480595E-08
3 5.95900E+06 -8.583901E-08
4 1.59361E+06 -3.93507E-07
5 493464.0000000 -1.523883E-06
6 171790.0000000 -5.163835E-06
7 65620.9000000 -1.576558E-05
8 26965.6000000 -4.451792E-05
9 11735.3000000 -0.000117862
10 5343.4300000 -0.0002970506
11 2522.5000000 -0.00071215
12 1226.4300000 -0.001627578
13 611.2690000 -0.003472813
14 311.3080000 -0.006786387
15 161.6240000 -0.01140447
16 85.3767000 -0.0144202
17 45.7911000 -0.007112199
18 24.8677000 0.01875196
19 13.6202000 0.06800067
20 7.4810600 0.08897549
21 4.0881700 0.005375665
22 2.1990500 -0.1262455
23 1.1481500 -0.2047776
24 0.5772650 -0.1813373
25 0.1976350 0.08926755
26 0.1089860 0.4152351
27 0.0532160 0.4980481
28 0.0255710 0.1598344
S 28
1 1.49769E+08 -4.424824E-09
2 2.67225E+07 -2.930792E-08
3 5.95900E+06 -1.71671E-07
4 1.59361E+06 -7.77332E-07
5 493464.0000000 -3.05604E-06
6 171790.0000000 -1.016453E-05
7 65620.9000000 -3.175112E-05
8 26965.6000000 -8.719808E-05
9 11735.3000000 -0.0002386228
10 5343.4300000 -0.0005786208
11 2522.5000000 -0.001450243
12 1226.4300000 -0.003150862
13 611.2690000 -0.007132634
14 311.3080000 -0.01299059
15 161.6240000 -0.02399757
16 85.3767000 -0.02606463
17 45.7911000 -0.02037216
18 24.8677000 0.05015681
19 13.6202000 0.1171966
20 7.4810600 0.2376384
21 4.0881700 -0.07287353
22 2.1990500 -0.2495889
23 1.1481500 -0.7317222
24 0.5772650 0.2562426
25 0.1976350 1.3560610
26 0.1089860 0.05874061
27 0.0532160 -0.5623917
28 0.0255710 -0.5746205
S 28
1 1.49769E+08 -7.310611E-09
2 2.67225E+07 -4.824191E-08
3 5.95900E+06 -2.839212E-07
4 1.59361E+06 -1.27829E-06
5 493464.0000000 -5.060659E-06
6 171790.0000000 -1.66875E-05
7 65620.9000000 -5.268054E-05
8 26965.6000000 -0.0001428269
9 11735.3000000 -0.0003968842
10 5343.4300000 -0.0009453497
11 2522.5000000 -0.002419017
12 1226.4300000 -0.005134981
13 611.2690000 -0.01195244
14 311.3080000 -0.02109359
15 161.6240000 -0.04075824
16 85.3767000 -0.04137104
17 45.7911000 -0.0387337
18 24.8677000 0.09345579
19 13.6202000 0.1922005
20 7.4810600 0.4898034
21 4.0881700 -0.2420892
22 2.1990500 -0.8764617
23 1.1481500 -1.0744520
24 0.5772650 2.3517730
25 0.1976350 0.5240434
26 0.1089860 -2.2517260
27 0.0532160 0.2695895
28 0.0255710 0.9368297
S 28
1 1.49769E+08 9.015017E-09
2 2.67225E+07 6.106675E-08
3 5.95900E+06 3.475829E-07
4 1.59361E+06 1.628897E-06
5 493464.0000000 6.139742E-06
6 171790.0000000 2.150851E-05
7 65620.9000000 6.302967E-05
8 26965.6000000 0.0001870318
9 11735.3000000 0.0004667623
10 5343.4300000 0.001260398
11 2522.5000000 0.002793658
12 1226.4300000 0.00699293
13 611.2690000 0.01347323
14 311.3080000 0.02996288
15 161.6240000 0.04304064
16 85.3767000 0.07114008
17 45.7911000 0.00991124
18 24.8677000 -0.03635768
19 13.6202000 -0.4435727
20 7.4810600 -0.5159647
21 4.0881700 0.3276521
22 2.1990500 2.9003630
23 1.1481500 -2.8382230
24 0.5772650 -1.0430590
25 0.1976350 4.5316650
26 0.1089860 -3.2699620
27 0.0532160 -1.0260610
28 0.0255710 1.4622030
S 28
1 1.49769E+08 -1.054576E-08
2 2.67225E+07 -7.056298E-08
3 5.95900E+06 -4.07978E-07
4 1.59361E+06 -1.876538E-06
5 493464.0000000 -7.237094E-06
6 171790.0000000 -2.464974E-05
7 65620.9000000 -7.478965E-05
8 26965.6000000 -0.0002128281
9 11735.3000000 -0.0005585257
10 5343.4300000 -0.00142342
11 2522.5000000 -0.003375476
12 1226.4300000 -0.007838124
13 611.2690000 -0.01654157
14 311.3080000 -0.03319364
15 161.6240000 -0.0553315
16 85.3767000 -0.07431718
17 45.7911000 -0.03576261
18 24.8677000 0.09555264
19 13.6202000 0.4920463
20 7.4810600 1.2092390
21 4.0881700 -2.5331060
22 2.1990500 -2.3277190
23 1.1481500 8.1954170
24 0.5772650 -7.2448810
25 0.1976350 3.1292460
26 0.1089860 1.1613620
27 0.0532160 -3.8758240
28 0.0255710 2.0596130
S 1
1 6.5165 1.0
S 1
1 2.2905 1.0
S 1
1 0.0255710 1.0000000
P 20
1 86947.3000000 0.0000020
2 21254.0000000 0.0000220
3 6741.1400000 0.0001370
4 2557.1600000 0.0006330
5 1093.5100000 0.0024280
6 506.1610000 0.0080880
7 247.1390000 0.0238010
8 125.4150000 0.0614900
9 65.6512000 0.1338960
10 35.3079000 0.2315900
11 19.4260000 0.3051640
12 10.8438000 0.2709610
13 6.0435900 0.1290850
14 3.3024500 0.0234320
15 1.7638900 -0.0009120
16 0.9213860 -0.0018800
17 0.4603730 -0.0007740
18 0.1836130 -0.0000500
19 0.0758570 -0.0000020
20 0.0311470 -0.0000010
P 20
1 86947.3000000 -0.0000010
2 21254.0000000 -0.0000080
3 6741.1400000 -0.0000480
4 2557.1600000 -0.0002230
5 1093.5100000 -0.0008580
6 506.1610000 -0.0028740
7 247.1390000 -0.0085490
8 125.4150000 -0.0225280
9 65.6512000 -0.0506120
10 35.3079000 -0.0908530
11 19.4260000 -0.1261670
12 10.8438000 -0.1087830
13 6.0435900 0.0380140
14 3.3024500 0.2686010
15 1.7638900 0.4011180
16 0.9213860 0.3201590
17 0.4603730 0.1178280
18 0.1836130 0.0103210
19 0.0758570 -0.0002070
20 0.0311470 0.0002100
P 20
1 86947.3000000 0.0000010
2 21254.0000000 0.0000050
3 6741.1400000 0.0000350
4 2557.1600000 0.0001480
5 1093.5100000 0.0006300
6 506.1610000 0.0019130
7 247.1390000 0.0062820
8 125.4150000 0.0150250
9 65.6512000 0.0376700
10 35.3079000 0.0595210
11 19.4260000 0.1023020
12 10.8438000 0.0667160
13 6.0435900 -0.0046980
14 3.3024500 -0.3942540
15 1.7638900 -0.4102480
16 0.9213860 -0.0101410
17 0.4603730 1.1891730
18 0.1836130 -0.0476880
19 0.0758570 -0.7406230
20 0.0311470 -0.0134270
P 20
1 86947.3000000 0.0000010
2 21254.0000000 0.0000080
3 6741.1400000 0.0000390
4 2557.1600000 0.0002240
5 1093.5100000 0.0006930
6 506.1610000 0.0028800
7 247.1390000 0.0069440
8 125.4150000 0.0227470
9 65.6512000 0.0406250
10 35.3079000 0.0966580
11 19.4260000 0.0922040
12 10.8438000 0.2132970
13 6.0435900 -0.2060540
14 3.3024500 -0.6970400
15 1.7638900 -0.5861790
16 0.9213860 2.0953970
17 0.4603730 -0.6206040
18 0.1836130 -1.2761030
19 0.0758570 1.0949440
20 0.0311470 0.0309990
P 20
1 86947.3000000 0.0000010
2 21254.0000000 0.0000100
3 6741.1400000 0.0000570
4 2557.1600000 0.0002980
5 1093.5100000 0.0010240
6 506.1610000 0.0038480
7 247.1390000 0.0103190
8 125.4150000 0.0307110
9 65.6512000 0.0617990
10 35.3079000 0.1300020
11 19.4260000 0.1521010
12 10.8438000 0.3802740
13 6.0435900 -0.8124970
14 3.3024500 -1.5336760
15 1.7638900 2.7453080
16 0.9213860 -0.1935220
17 0.4603730 -2.1517710
18 0.1836130 2.2005390
19 0.0758570 -1.0191770
20 0.0311470 -0.0925030
P 19
1 21254.0000000 0.0000020
2 6741.1400000 0.0000110
3 2557.1600000 0.0000490
4 1093.5100000 0.0001900
5 506.1610000 0.0006290
6 247.1390000 0.0018960
7 125.4150000 0.0049400
8 65.6512000 0.0112840
9 35.3079000 0.0199750
10 19.4260000 0.0286520
11 10.8438000 0.0234470
12 6.0435900 -0.0101570
13 3.3024500 -0.0737810
14 1.7638900 -0.1060330
15 0.9213860 -0.1072140
16 0.4603730 0.0388870
17 0.1836130 0.3560020
18 0.0758570 0.5256190
19 0.0311470 0.2288990
P 19
1 21254.0000000 0.0000030
2 6741.1400000 0.0000160
3 2557.1600000 0.0000720
4 1093.5100000 0.0002850
5 506.1610000 0.0009310
6 247.1390000 0.0028370
7 125.4150000 0.0073090
8 65.6512000 0.0168900
9 35.3079000 0.0294880
10 19.4260000 0.0433150
11 10.8438000 0.0342620
12 6.0435900 -0.0126420
13 3.3024500 -0.1153800
14 1.7638900 -0.1597990
15 0.9213860 -0.1624660
16 0.4603730 0.1157490
17 0.1836130 0.6334080
18 0.0758570 0.3848220
19 0.0311470 0.0138430
P 1
1 9.9818 1.0
P 1
1 3.1702 1.0
P 1
1 0.0311470 1.0000000
D 12
1 489.1150000 0.0001610
2 147.2080000 0.0015040
3 57.1278000 0.0082640
4 25.0429000 0.0303080
5 11.6672000 0.0833100
6 5.6825000 0.1734770
7 2.8132500 0.2614830
8 1.3773300 0.2996800
9 0.6565340 0.2695640
10 0.3007000 0.1786260
11 0.1301870 0.0691950
12 0.0515820 0.0074640
D 12
1 489.1150000 -0.0001770
2 147.2080000 -0.0016620
3 57.1278000 -0.0091670
4 25.0429000 -0.0338130
5 11.6672000 -0.0952530
6 5.6825000 -0.2009730
7 2.8132500 -0.2716650
8 1.3773300 -0.1618990
9 0.6565340 0.1633340
10 0.3007000 0.4360160
11 0.1301870 0.3688740
12 0.0515820 0.0772260
D 12
1 489.1150000 0.0002550
2 147.2080000 0.0024170
3 57.1278000 0.0133600
4 25.0429000 0.0501130
5 11.6672000 0.1462150
6 5.6825000 0.3074050
7 2.8132500 0.2670510
8 1.3773300 -0.2621310
9 0.6565340 -0.6319990
10 0.3007000 -0.0025160
11 0.1301870 0.6017010
12 0.0515820 0.1820430
D 12
1 489.1150000 -0.0003430
2 147.2080000 -0.0033700
3 57.1278000 -0.0182450
4 25.0429000 -0.0707720
5 11.6672000 -0.2178620
6 5.6825000 -0.4774330
7 2.8132500 0.1101250
8 1.3773300 1.0166160
9 0.6565340 -0.3807830
10 0.3007000 -0.8475000
11 0.1301870 0.5934410
12 0.0515820 0.2794530
D 12
1 489.1150000 -0.0004800
2 147.2080000 -0.0041140
3 57.1278000 -0.0251280
4 25.0429000 -0.0908760
5 11.6672000 -0.3569300
6 5.6825000 -0.4983040
7 2.8132500 1.2870220
8 1.3773300 -0.1020050
9 0.6565340 -1.4530250
10 0.3007000 1.4203760
11 0.1301870 -0.2129640
12 0.0515820 -0.5008240
D 1
1 7.0959 1.0
D 1
1 4.3150 1.0
D 1
1 0.0515820 1.0000000
F 1
1 11.0527 1.0
F 1
1 4.8693 1.0
F 1
1 2.1452 1.0
F 1
1 0.9451 1.0
F 1
1 0.3175000 1.0000000
G 1
1 7.5673 1.0
G 1
1 3.6967 1.0
G 1
1 1.8059 1.0
G 1
1 0.6657000 1.0000000
H 1
1 6.9319 1.0
H 1
1 3.2742 1.0
H 1
1 1.3156000 1.0000000
I 1
1 7.0632 1.0
I 1
1 3.1502000 1.0000000
COBALT
S 28
1 1.61030E+08 8.662183E-08
2 2.87558E+07 5.771763E-07
3 6.42324E+06 3.338777E-06
4 1.72120E+06 1.525639E-05
5 533994.0000000 5.896429E-05
6 186194.0000000 0.0001992702
7 71201.7000000 0.0006077789
8 29276.2000000 0.001710961
9 12742.3000000 0.004517474
10 5800.5100000 0.01127782
11 2736.9600000 0.02661227
12 1329.9900000 0.05860637
13 662.6110000 0.1169482
14 337.4150000 0.1999746
15 175.2340000 0.2643784
16 92.6434000 0.2249341
17 49.7576000 0.0990624
18 27.0728000 0.05071482
19 14.8610000 0.08902685
20 8.1812100 0.07586152
21 4.4794100 0.02214222
22 2.4119100 0.001717531
23 1.2584400 -5.409407E-06
24 0.6312340 -6.718433E-05
25 0.2152970 -7.1786E-07
26 0.1185100 6.03256E-06
27 0.0572090 6.126313E-06
28 0.0271660 2.509112E-06
S 28
1 1.61030E+08 -4.556183E-08
2 2.87558E+07 -3.035847E-07
3 6.42324E+06 -1.756166E-06
4 1.72120E+06 -8.024821E-06
5 533994.0000000 -3.101768E-05
6 186194.0000000 -0.0001048428
7 71201.7000000 -0.0003199314
8 29276.2000000 -0.0009016105
9 12742.3000000 -0.00238639
10 5800.5100000 -0.0059881
11 2736.9600000 -0.01428063
12 1329.9900000 -0.03211732
13 662.6110000 -0.06678496
14 337.4150000 -0.1236623
15 175.2340000 -0.1908018
16 92.6434000 -0.2115468
17 49.7576000 -0.09922228
18 27.0728000 0.1722946
19 14.8610000 0.4619215
20 8.1812100 0.3996247
21 4.4794100 0.1162798
22 2.4119100 0.008604498
23 1.2584400 -0.001265293
24 0.6312340 -0.0007648586
25 0.2152970 -6.404352E-05
26 0.1185100 6.372632E-05
27 0.0572090 1.662965E-05
28 0.0271660 1.570013E-05
S 28
1 1.61030E+08 1.041562E-08
2 2.87558E+07 6.941461E-08
3 6.42324E+06 4.01447E-07
4 1.72120E+06 1.835009E-06
5 533994.0000000 7.090429E-06
6 186194.0000000 2.398084E-05
7 71201.7000000 7.316286E-05
8 29276.2000000 0.0002064944
9 12742.3000000 0.000547093
10 5800.5100000 0.001379359
11 2736.9600000 0.003311503
12 1329.9900000 0.007570774
13 662.6110000 0.01617381
14 337.4150000 0.03158299
15 175.2340000 0.05307111
16 92.6434000 0.06689319
17 49.7576000 0.03338852
18 27.0728000 -0.08553213
19 14.8610000 -0.2983211
20 8.1812100 -0.3720681
21 4.4794100 -0.03313281
22 2.4119100 0.4476713
23 1.2584400 0.5711223
24 0.6312340 0.2346370
25 0.2152970 0.01505834
26 0.1185100 -0.003444353
27 0.0572090 0.003212369
28 0.0271660 0.0001675018
S 28
1 1.61030E+08 -2.200797E-09
2 2.87558E+07 -1.46685E-08
3 6.42324E+06 -8.482259E-08
4 1.72120E+06 -3.877784E-07
5 533994.0000000 -1.498105E-06
6 186194.0000000 -5.067913E-06
7 71201.7000000 -1.545763E-05
8 29276.2000000 -4.36422E-05
9 12742.3000000 -0.0001155867
10 5800.5100000 -0.0002915733
11 2736.9600000 -0.0006997388
12 1329.9900000 -0.001601143
13 662.6110000 -0.003420234
14 337.4150000 -0.006691847
15 175.2340000 -0.01125825
16 92.6434000 -0.01427562
17 49.7576000 -0.007134768
18 27.0728000 0.01848341
19 14.8610000 0.06724484
20 8.1812100 0.08704356
21 4.4794100 0.004998014
22 2.4119100 -0.1238556
23 1.2584400 -0.1989520
24 0.6312340 -0.1759940
25 0.2152970 0.0794452
26 0.1185100 0.4024933
27 0.0572090 0.5034063
28 0.0271660 0.1730481
S 28
1 1.61030E+08 -4.305752E-09
2 2.87558E+07 -2.848385E-08
3 6.42324E+06 -1.662977E-07
4 1.72120E+06 -7.515459E-07
5 533994.0000000 -2.944684E-06
6 186194.0000000 -9.789564E-06
7 71201.7000000 -3.050378E-05
8 29276.2000000 -8.391909E-05
9 12742.3000000 -0.0002292077
10 5800.5100000 -0.0005578224
11 2736.9600000 -0.001395052
12 1329.9900000 -0.003045922
13 662.6110000 -0.006873444
14 337.4150000 -0.0125977
15 175.2340000 -0.02314866
16 92.6434000 -0.02548397
17 49.7576000 -0.01958046
18 27.0728000 0.04772897
19 14.8610000 0.1149297
20 8.1812100 0.2257042
21 4.4794100 -0.06554148
22 2.4119100 -0.2493425
23 1.2584400 -0.6686389
24 0.6312340 0.2041108
25 0.2152970 1.2279070
26 0.1185100 0.1857518
27 0.0572090 -0.4763281
28 0.0271660 -0.6704814
S 28
1 1.61030E+08 -7.60024E-09
2 2.87558E+07 -5.006064E-08
3 6.42324E+06 -2.938904E-07
4 1.72120E+06 -1.319357E-06
5 533994.0000000 -5.21171E-06
6 186194.0000000 -1.715261E-05
7 71201.7000000 -5.410968E-05
8 29276.2000000 -0.0001466455
9 12742.3000000 -0.000407724
10 5800.5100000 -0.0009719138
11 2736.9600000 -0.002489639
12 1329.9900000 -0.005291021
13 662.6110000 -0.01233031
14 337.4150000 -0.02177919
15 175.2340000 -0.04215306
16 92.6434000 -0.04281763
17 49.7576000 -0.04064818
18 27.0728000 0.09666274
19 14.8610000 0.1952451
20 8.1812100 0.5139452
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P 19
1 104158.0000000 0.0000020
2 25289.1000000 0.0000220
3 7974.0600000 0.0001360
4 3013.0100000 0.0006310
5 1286.4100000 0.0024210
6 595.8550000 0.0080490
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8 148.5440000 0.0608610
9 78.0737000 0.1326030
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P 19
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2 7974.0600000 0.0000100
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6 291.6560000 0.0017620
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17 0.2107400 0.3447120
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P 19
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1 12.4234 1.0
P 1
1 4.0755 1.0
P 1
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D 1
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COPPER
S 28
1 1.93188E+08 8.189248E-08
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3 7.51046E+06 3.254124E-06
4 2.00199E+06 1.494164E-05
5 619378.0000000 5.78762E-05
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14 382.2490000 0.1999504
15 198.2370000 0.2605024
16 104.8100000 0.2154194
17 56.3885000 0.09248247
18 30.7830000 0.05710446
19 16.9770000 0.1024003
20 9.3972500 0.08323474
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22 2.7953500 0.001775061
23 1.4589000 -4.661882E-05
24 0.7287110 -8.666474E-05
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26 0.1278210 1.298399E-07
27 0.0618150 -5.102737E-07
28 0.0293030 -1.469974E-07
S 28
1 1.93188E+08 -4.611013E-08
2 3.39452E+07 -3.141616E-07
3 7.51046E+06 -1.832284E-06
4 2.00199E+06 -8.412987E-06
5 619378.0000000 -3.259135E-05
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17 56.3885000 -0.09441542
18 30.7830000 0.1874571
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25 0.2376420 -4.73181E-05
26 0.1278210 2.312508E-05
27 0.0618150 -1.379905E-05
28 0.0293030 1.206703E-06
S 28
1 1.93188E+08 1.01842E-08
2 3.39452E+07 6.939965E-08
3 7.51046E+06 4.046744E-07
4 2.00199E+06 1.858592E-06
5 619378.0000000 7.198169E-06
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13 752.5880000 0.01689595
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25 0.2376420 0.01340137
26 0.1278210 -0.003370102
27 0.0618150 0.00306508
28 0.0293030 9.197157E-05
S 28
1 1.93188E+08 -2.054681E-09
2 3.39452E+07 -1.400309E-08
3 7.51046E+06 -8.164118E-08
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25 0.2376420 0.09426046
26 0.1278210 0.3962220
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S 28
1 1.93188E+08 3.816605E-09
2 3.39452E+07 2.582606E-08
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4 2.00199E+06 6.903629E-07
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S 28
1 1.93188E+08 -7.75724E-09
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26 0.1278210 -1.8178740
27 0.0618150 0.003019659
28 0.0293030 0.9096255
S 28
1 1.93188E+08 9.028583E-09
2 3.39452E+07 6.205817E-08
3 7.51046E+06 3.578757E-07
4 2.00199E+06 1.665776E-06
5 619378.0000000 6.346135E-06
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7 82327.1000000 6.543424E-05
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21 5.1723800 0.9308371
22 2.7953500 2.5330430
23 1.4589000 -3.1586610
24 0.7287110 -0.4007620
25 0.2376420 3.8540990
26 0.1278210 -2.8874570
27 0.0618150 -0.9069599
28 0.0293030 1.3162770
S 28
1 1.93188E+08 1.07597E-08
2 3.39452E+07 7.162208E-08
3 7.51046E+06 4.30389E-07
4 2.00199E+06 1.905813E-06
5 619378.0000000 7.718964E-06
6 215606.0000000 2.473676E-05
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21 5.1723800 4.6893680
22 2.7953500 -0.5933257
23 1.4589000 -5.9757640
24 0.7287110 6.3988290
25 0.2376420 -3.6822160
26 0.1278210 0.2025323
27 0.0618150 2.7822760
28 0.0293030 -1.6724720
S 1
1 9.3455 1.0
S 1
1 3.3051 1.0
S 1
1 0.0293030 1.0000000
P 20
1 110294.0000000 0.0000020
2 26939.1000000 0.0000220
3 8550.7100000 0.0001360
4 3246.1900000 0.0006300
5 1388.4600000 0.0024180
6 642.4740000 0.0080870
7 313.5700000 0.0239050
8 159.1610000 0.0619710
9 83.4414000 0.1350660
10 45.0196000 0.2334730
11 24.8894000 0.3054990
12 13.9731000 0.2676760
13 7.8257100 0.1264990
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17 0.5937650 -0.0006570
18 0.2239870 -0.0000330
19 0.0890260 -0.0000010
20 0.0352130 -0.0000010
P 20
1 110294.0000000 -0.0000010
2 26939.1000000 -0.0000080
3 8550.7100000 -0.0000490
4 3246.1900000 -0.0002280
5 1388.4600000 -0.0008780
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9 83.4414000 -0.0525890
10 45.0196000 -0.0946250
11 24.8894000 -0.1304500
12 13.9731000 -0.1081600
13 7.8257100 0.0466870
14 4.2863200 0.2780770
15 2.2903400 0.4021830
16 1.1934200 0.3112960
17 0.5937650 0.1125510
18 0.2239870 0.0093970
19 0.0890260 -0.0005000
20 0.0352130 0.0002580
P 20
1 110294.0000000 0.0000010
2 26939.1000000 0.0000060
3 8550.7100000 0.0000390
4 3246.1900000 0.0001650
5 1388.4600000 0.0007040
6 642.4740000 0.0021380
7 313.5700000 0.0070800
8 159.1610000 0.0169610
9 83.4414000 0.0427860
10 45.0196000 0.0672780
11 24.8894000 0.1165020
12 13.9731000 0.0755100
13 7.8257100 -0.0166890
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15 2.2903400 -0.3794090
16 1.1934200 0.2313430
17 0.5937650 1.0614750
18 0.2239870 -0.2667340
19 0.0890260 -0.6195930
20 0.0352130 0.0044910
P 20
1 110294.0000000 0.0000010
2 26939.1000000 0.0000080
3 8550.7100000 0.0000410
4 3246.1900000 0.0002330
5 1388.4600000 0.0007420
6 642.4740000 0.0030220
7 313.5700000 0.0075130
8 159.1610000 0.0241350
9 83.4414000 0.0443790
10 45.0196000 0.1022350
11 24.8894000 0.1040660
12 13.9731000 0.2338940
13 7.8257100 -0.2861980
14 4.2863200 -0.8434390
15 2.2903400 -0.1843620
16 1.1934200 2.0703390
17 0.5937650 -1.1076600
18 0.2239870 -0.8528460
19 0.0890260 1.0166690
20 0.0352130 -0.0152460
P 20
1 110294.0000000 0.0000010
2 26939.1000000 0.0000110
3 8550.7100000 0.0000600
4 3246.1900000 0.0003200
5 1388.4600000 0.0010770
6 642.4740000 0.0041610
7 313.5700000 0.0109750
8 159.1610000 0.0335730
9 83.4414000 0.0662350
10 45.0196000 0.1425030
11 24.8894000 0.1738220
12 13.9731000 0.4655980
13 7.8257100 -1.3584250
14 4.2863200 -0.8867940
15 2.2903400 2.9226280
16 1.1934200 -1.1758410
17 0.5937650 -1.2549040
18 0.2239870 1.8420450
19 0.0890260 -1.0455610
20 0.0352130 -0.0242510
P 19
1 26939.1000000 0.0000020
2 8550.7100000 0.0000100
3 3246.1900000 0.0000440
4 1388.4600000 0.0001720
5 642.4740000 0.0005700
6 313.5700000 0.0017360
7 159.1610000 0.0045200
8 83.4414000 0.0104050
9 45.0196000 0.0183320
10 24.8894000 0.0263810
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15 1.1934200 -0.0949500
16 0.5937650 0.0364060
17 0.2239870 0.3398340
18 0.0890260 0.5281230
19 0.0352130 0.2501400
P 19
1 26939.1000000 0.0000030
2 8550.7100000 0.0000190
3 3246.1900000 0.0000840
4 1388.4600000 0.0003430
5 642.4740000 0.0010900
6 313.5700000 0.0034460
7 159.1610000 0.0086380
8 83.4414000 0.0207180
9 45.0196000 0.0347140
10 24.8894000 0.0541220
11 13.9731000 0.0363680
12 7.8257100 -0.0125560
13 4.2863200 -0.1622150
14 2.2903400 -0.1771880
15 1.1934200 -0.1563550
16 0.5937650 0.2360190
17 0.2239870 0.6412110
18 0.0890260 0.2955020
19 0.0352130 0.0083520
P 1
1 14.0035 1.0
P 1
1 4.5398 1.0
P 1
1 0.0352130 1.0000000
D 12
1 732.8930000 0.0001250
2 220.7530000 0.0011980
3 85.6268000 0.0068360
4 37.7178000 0.0262600
5 17.7647000 0.0742730
6 8.7641500 0.1588570
7 4.4178660 0.2458580
8 2.2180390 0.2865090
9 1.0935310 0.2665050
10 0.5230910 0.1965650
11 0.2384750 0.1005970
12 0.1000260 0.0231780
D 12
1 732.8930000 -0.0001550
2 220.7530000 -0.0014880
3 85.6268000 -0.0085270
4 37.7178000 -0.0329550
5 17.7647000 -0.0955650
6 8.7641500 -0.2099910
7 4.4178660 -0.2920560
8 2.2180390 -0.1738440
9 1.0935310 0.1426460
10 0.5230910 0.3835540
11 0.2384750 0.3616940
12 0.1000260 0.1395860
D 12
1 732.8930000 0.0001840
2 220.7530000 0.0018070
3 85.6268000 0.0102770
4 37.7178000 0.0404270
5 17.7647000 0.1197510
6 8.7641500 0.2799060
7 4.4178660 0.2845770
8 2.2180390 -0.2072750
9 1.0935310 -0.5788020
10 0.5230910 -0.1622250
11 0.2384750 0.5200430
12 0.1000260 0.3759220
D 12
1 732.8930000 -0.0002570
2 220.7530000 -0.0027730
3 85.6268000 -0.0147450
4 37.7178000 -0.0622900
5 17.7647000 -0.1862120
6 8.7641500 -0.4970340
7 4.4178660 0.0051970
8 2.2180390 0.9952550
9 1.0935310 -0.0964500
10 0.5230910 -0.9197540
11 0.2384750 0.2428820
12 0.1000260 0.5096680
D 12
1 732.8930000 -0.0003830
2 220.7530000 -0.0032850
3 85.6268000 -0.0211250
4 37.7178000 -0.0767360
5 17.7647000 -0.3193880
6 8.7641500 -0.6162490
7 4.4178660 1.2229320
8 2.2180390 0.2286340
9 1.0935310 -1.6101430
10 0.5230910 1.0269660
11 0.2384750 0.3819150
12 0.1000260 -0.7162600
D 1
1 10.8534 1.0
D 1
1 6.4396 1.0
D 1
1 0.1000260 1.0000000
F 1
1 16.4096 1.0
F 1
1 7.3000 1.0
F 1
1 3.2475 1.0
F 1
1 1.4447 1.0
F 1
1 0.5005000 1.0000000
G 1
1 11.5984 1.0
G 1
1 5.7591 1.0
G 1
1 2.8596 1.0
G 1
1 1.1042000 1.0000000
H 1
1 10.0319 1.0
H 1
1 4.8836 1.0
H 1
1 2.1024000 1.0000000
I 1
1 9.9825 1.0
I 1
1 4.9428000 1.0000000
ZINC
S 28
1 1.87413E+08 1.009014E-07
2 3.35127E+07 6.704747E-07
3 7.50475E+06 3.863166E-06
4 2.01787E+06 1.756108E-05
5 628578.0000000 6.747146E-05
6 220163.0000000 0.0002265652
7 84595.2000000 0.0006864596
8 34955.5000000 0.001919556
9 15290.3000000 0.005035036
10 6994.9300000 0.01249183
11 3316.5900000 0.02931174
12 1619.2400000 0.06427367
13 810.3430000 0.1280292
14 414.3930000 0.2196143
15 216.0580000 0.2943285
16 114.6350000 0.2592639
17 61.7623000 0.1154133
18 33.6924000 0.01748179
19 18.5315000 0.00123447
20 10.2144000 1.030887E-05
21 5.5942800 5.407386E-05
22 3.0096800 -9.020925E-05
23 1.5668400 1.229205E-05
24 0.7814370 -1.291299E-05
25 0.2581180 5.053007E-06
26 0.1385560 -4.083295E-06
27 0.0661710 1.77407E-06
28 0.0309860 -4.512962E-07
S 28
1 1.87413E+08 -3.115741E-08
2 3.35127E+07 -2.070312E-07
3 7.50475E+06 -1.192935E-06
4 2.01787E+06 -5.422776E-06
5 628578.0000000 -2.083826E-05
6 220163.0000000 -6.998988E-05
7 84595.2000000 -0.0002122319
8 34955.5000000 -0.0005944122
9 15290.3000000 -0.001565121
10 6994.9300000 -0.003912825
11 3316.5900000 -0.009329174
12 1619.2400000 -0.02109918
13 810.3430000 -0.04460857
14 414.3930000 -0.08543854
15 216.0580000 -0.1398518
16 114.6350000 -0.1674907
17 61.7623000 -0.07864897
18 33.6924000 0.1871467
19 18.5315000 0.4773740
20 10.2144000 0.3974608
21 5.5942800 0.1119124
22 3.0096800 0.01021018
23 1.5668400 0.001535466
24 0.7814370 0.0003513273
25 0.2581180 8.700326E-06
26 0.1385560 8.085928E-06
27 0.0661710 -4.465779E-06
28 0.0309860 1.262079E-06
S 28
1 1.87413E+08 1.176468E-08
2 3.35127E+07 7.81863E-08
3 7.50475E+06 4.504171E-07
4 2.01787E+06 2.048043E-06
5 628578.0000000 7.867565E-06
6 220163.0000000 2.643679E-05
7 84595.2000000 8.013127E-05
8 34955.5000000 0.0002246143
9 15290.3000000 0.0005912514
10 6994.9300000 0.00148082
11 3316.5900000 0.003533956
12 1619.2400000 0.00803224
13 810.3430000 0.01708455
14 414.3930000 0.03323558
15 216.0580000 0.05573178
16 114.6350000 0.07004526
17 61.7623000 0.03460894
18 33.6924000 -0.09417457
19 18.5315000 -0.3185785
20 10.2144000 -0.3740136
21 5.5942800 -0.007223424
22 3.0096800 0.4699051
23 1.5668400 0.5650018
24 0.7814370 0.2128446
25 0.2581180 0.01020773
26 0.1385560 -0.003216647
27 0.0661710 0.0009813901
28 0.0309860 -0.0002125953
S 28
1 1.87413E+08 -2.356493E-09
2 3.35127E+07 -1.565939E-08
3 7.50475E+06 -9.022205E-08
4 2.01787E+06 -4.101783E-07
5 628578.0000000 -1.575992E-06
6 220163.0000000 -5.294514E-06
7 84595.2000000 -1.605261E-05
8 34955.5000000 -4.498259E-05
9 15290.3000000 -0.0001184624
10 6994.9300000 -0.0002965895
11 3316.5900000 -0.0007083659
12 1619.2400000 -0.001609791
13 810.3430000 -0.003429679
14 414.3930000 -0.00667783
15 216.0580000 -0.01124816
16 114.6350000 -0.01419067
17 61.7623000 -0.007119783
18 33.6924000 0.01964233
19 18.5315000 0.06866033
20 10.2144000 0.08451691
21 5.5942800 -0.002558593
22 3.0096800 -0.1246873
23 1.5668400 -0.1981732
24 0.7814370 -0.1626983
25 0.2581180 0.1212677
26 0.1385560 0.4147624
27 0.0661710 0.4840872
28 0.0309860 0.1419222
S 28
1 1.87413E+08 6.708866E-09
2 3.35127E+07 4.41662E-08
3 7.50475E+06 2.575365E-07
4 2.01787E+06 1.154012E-06
5 628578.0000000 4.513571E-06
6 220163.0000000 1.483194E-05
7 84595.2000000 4.621034E-05
8 34955.5000000 0.0001252604
9 15290.3000000 0.0003431994
10 6994.9300000 0.000820361
11 3316.5900000 0.002066898
12 1619.2400000 0.004419789
13 810.3430000 0.01011367
14 414.3930000 0.01809426
15 216.0580000 0.03416662
16 114.6350000 0.03593265
17 61.7623000 0.03074112
18 33.6924000 -0.07752629
19 18.5315000 -0.1679194
20 10.2144000 -0.3562499
21 5.5942800 0.1776982
22 3.0096800 0.4749129
23 1.5668400 0.8521909
24 0.7814370 -0.7724873
25 0.2581180 -1.4319140
26 0.1385560 0.4991946
27 0.0661710 0.5499585
28 0.0309860 0.2413894
S 28
1 1.87413E+08 -9.317884E-09
2 3.35127E+07 -6.155607E-08
3 7.50475E+06 -3.573416E-07
4 2.01787E+06 -1.609881E-06
5 628578.0000000 -6.255093E-06
6 220163.0000000 -2.072444E-05
7 84595.2000000 -6.392044E-05
8 34955.5000000 -0.0001754269
9 15290.3000000 -0.0004736661
10 6994.9300000 -0.001152085
11 3316.5900000 -0.002846504
12 1619.2400000 -0.006230027
13 810.3430000 -0.01389848
14 414.3930000 -0.02572496
15 216.0580000 -0.04674972
16 114.6350000 -0.05304136
17 61.7623000 -0.03846676
18 33.6924000 0.09700309
19 18.5315000 0.2750132
20 10.2144000 0.6149135
21 5.5942800 -0.4648242
22 3.0096800 -1.4688170
23 1.5668400 -0.06123386
24 0.7814370 2.5333260
25 0.2581180 -1.4838310
26 0.1385560 -0.9440243
27 0.0661710 0.9934343
28 0.0309860 0.2834131
S 28
1 1.87413E+08 1.206066E-08
2 3.35127E+07 8.110169E-08
3 7.50475E+06 4.60205E-07
4 2.01787E+06 2.130959E-06
5 628578.0000000 8.004527E-06
6 220163.0000000 2.765382E-05
7 84595.2000000 8.09931E-05
8 34955.5000000 0.000236727
9 15290.3000000 0.0005928609
10 6994.9300000 0.001574959
11 3316.5900000 0.003517111
12 1619.2400000 0.008651605
13 810.3430000 0.01689628
14 414.3930000 0.03686833
15 216.0580000 0.05445003
16 114.6350000 0.08690671
17 61.7623000 0.01740443
18 33.6924000 -0.05212573
19 18.5315000 -0.5511726
20 10.2144000 -1.1543500
21 5.5942800 2.1468370
22 3.0096800 2.4632420
23 1.5668400 -6.0927930
24 0.7814370 3.2604830
25 0.2581180 2.0784120
26 0.1385560 -4.0424470
27 0.0661710 1.7426680
28 0.0309860 0.1569018
S 28
1 1.87413E+08 1.288013E-08
2 3.35127E+07 7.963494E-08
3 7.50475E+06 5.028311E-07
4 2.01787E+06 2.04487E-06
5 628578.0000000 8.997462E-06
6 220163.0000000 2.548089E-05
7 84595.2000000 9.502563E-05
8 34955.5000000 0.000205759
9 15290.3000000 0.000732222
10 6994.9300000 0.001279062
11 3316.5900000 0.004583798
12 1619.2400000 0.006488435
13 810.3430000 0.02369604
14 414.3930000 0.02360841
15 216.0580000 0.09186954
16 114.6350000 0.01584593
17 61.7623000 0.1832209
18 33.6924000 -0.3620858
19 18.5315000 -0.2562035
20 10.2144000 -2.6784160
21 5.5942800 8.3186980
22 3.0096800 -7.7549970
23 1.5668400 0.5798922
24 0.7814370 4.4806790
25 0.2581180 -7.9856680
26 0.1385560 7.9331330
27 0.0661710 -2.6833390
28 0.0309860 -0.0423562
S 1
1 10.4508 1.0
S 1
1 3.9198 1.0
S 1
1 0.0309860 1.0000000
P 20
1 110349.0000000 0.0000030
2 26971.3000000 0.0000250
3 8560.0700000 0.0001540
4 3248.8000000 0.0007110
5 1389.4100000 0.0027260
6 643.0430000 0.0090780
7 314.0050000 0.0266470
8 159.4890000 0.0683490
9 83.6662000 0.1462290
10 45.1574000 0.2463660
11 24.9630000 0.3093570
12 14.0043000 0.2518340
13 7.8326700 0.1075770
14 4.2841000 0.0186230
15 2.2890100 0.0018400
16 1.1943600 0.0005260
17 0.5942580 0.0001340
18 0.2269140 0.0000180
19 0.0901790 -0.0000030
20 0.0357180 0.0000010
P 20
1 110349.0000000 -0.0000010
2 26971.3000000 -0.0000090
3 8560.0700000 -0.0000570
4 3248.8000000 -0.0002660
5 1389.4100000 -0.0010230
6 643.0430000 -0.0034260
7 314.0050000 -0.0101780
8 159.4890000 -0.0266840
9 83.6662000 -0.0590440
10 45.1574000 -0.1036450
11 24.9630000 -0.1371860
12 14.0043000 -0.0980300
13 7.8326700 0.0782840
14 4.2841000 0.3068960
15 2.2890100 0.4020910
16 1.1943600 0.2839960
17 0.5942580 0.0869280
18 0.2269140 0.0058540
19 0.0901790 -0.0000370
20 0.0357180 0.0001050
P 20
1 110349.0000000 -0.0000010
2 26971.3000000 -0.0000070
3 8560.0700000 -0.0000440
4 3248.8000000 -0.0001870
5 1389.4100000 -0.0007860
6 643.0430000 -0.0024190
7 314.0050000 -0.0078320
8 159.4890000 -0.0188920
9 83.6662000 -0.0460950
10 45.1574000 -0.0721870
11 24.9630000 -0.1187060
12 14.0043000 -0.0688450
13 7.8326700 0.0612550
14 4.2841000 0.5482940
15 2.2890100 0.2972820
16 1.1943600 -0.2716010
17 0.5942580 -1.0379400
18 0.2269140 0.2883290
19 0.0901790 0.5829240
20 0.0357180 -0.0102590
P 20
1 110349.0000000 0.0000010
2 26971.3000000 0.0000090
3 8560.0700000 0.0000470
4 3248.8000000 0.0002580
5 1389.4100000 0.0008400
6 643.0430000 0.0033290
7 314.0050000 0.0084050
8 159.4890000 0.0262100
9 83.6662000 0.0483260
10 45.1574000 0.1064260
11 24.9630000 0.1112430
12 14.0043000 0.2196340
13 7.8326700 -0.3785060
14 4.2841000 -0.8342830
15 2.2890100 0.0346510
16 1.1943600 1.9667590
17 0.5942580 -1.2248450
18 0.2269140 -0.7377320
19 0.0901790 0.9916440
20 0.0357180 -0.0300890
P 20
1 110349.0000000 0.0000010
2 26971.3000000 0.0000110
3 8560.0700000 0.0000750
4 3248.8000000 0.0003070
5 1389.4100000 0.0013430
6 643.0430000 0.0039790
7 314.0050000 0.0135080
8 159.4890000 0.0315180
9 83.6662000 0.0812240
10 45.1574000 0.1177440
11 24.9630000 0.2545370
12 14.0043000 0.2804660
13 7.8326700 -1.3817560
14 4.2841000 -0.5845020
15 2.2890100 2.8319550
16 1.1943600 -1.4030820
17 0.5942580 -1.0866400
18 0.2269140 1.8537790
19 0.0901790 -1.1119850
20 0.0357180 0.0099530
P 19
1 26971.3000000 0.0000020
2 8560.0700000 0.0000110
3 3248.8000000 0.0000490
4 1389.4100000 0.0001900
5 643.0430000 0.0006280
6 314.0050000 0.0018980
7 159.4890000 0.0049050
8 83.6662000 0.0110910
9 45.1574000 0.0191100
10 24.9630000 0.0264040
11 14.0043000 0.0170480
12 7.8326700 -0.0167770
13 4.2841000 -0.0722810
14 2.2890100 -0.0888340
15 1.1943600 -0.0855010
16 0.5942580 0.0514770
17 0.2269140 0.3482630
18 0.0901790 0.5207130
19 0.0357180 0.2411100
P 19
1 26971.3000000 0.0000030
2 8560.0700000 0.0000190
3 3248.8000000 0.0000840
4 1389.4100000 0.0003350
5 643.0430000 0.0010780
6 314.0050000 0.0033420
7 159.4890000 0.0084110
8 83.6662000 0.0195690
9 45.1574000 0.0325670
10 24.9630000 0.0477820
11 14.0043000 0.0279570
12 7.8326700 -0.0245300
13 4.2841000 -0.1464900
14 2.2890100 -0.1492570
15 1.1943600 -0.1363180
16 0.5942580 0.1989520
17 0.2269140 0.6520570
18 0.0901790 0.3101190
19 0.0357180 0.0055280
P 1
1 14.8971 1.0
P 1
1 4.7100 1.0
P 1
1 0.0357180 1.0000000
D 12
1 854.1223000 0.0001100
2 257.9496000 0.0010600
3 100.2319000 0.0061270
4 44.1762100 0.0242270
5 20.7847600 0.0705680
6 10.2275600 0.1554220
7 5.1512410 0.2464650
8 2.5908470 0.2908540
9 1.2858010 0.2696230
10 0.6253440 0.1932020
11 0.2939430 0.0928240
12 0.1289970 0.0192730
D 12
1 854.1223000 0.0001540
2 257.9496000 0.0014840
3 100.2319000 0.0086150
4 44.1762100 0.0343280
5 20.7847600 0.1026560
6 10.2275600 0.2346230
7 5.1512410 0.3308580
8 2.5908470 0.1664140
9 1.2858010 -0.2191500
10 0.6253440 -0.4171790
11 0.2939430 -0.2879880
12 0.1289970 -0.0764540
D 12
1 854.1223000 0.0001680
2 257.9496000 0.0016860
3 100.2319000 0.0095520
4 44.1762100 0.0391690
5 20.7847600 0.1185400
6 10.2275600 0.3060170
7 5.1512410 0.2800330
8 2.5908470 -0.3570440
9 1.2858010 -0.5566930
10 0.6253440 -0.0034070
11 0.2939430 0.5550480
12 0.1289970 0.3077980
D 12
1 854.1223000 0.0002020
2 257.9496000 0.0022920
3 100.2319000 0.0119480
4 44.1762100 0.0534890
5 20.7847600 0.1599570
6 10.2275600 0.4633290
7 5.1512410 0.0018920
8 2.5908470 -0.9592480
9 1.2858010 0.1085530
10 0.6253440 0.9818850
11 0.2939430 -0.3019870
12 0.1289970 -0.5958930
D 12
1 854.1223000 -0.0003210
2 257.9496000 -0.0028130
3 100.2319000 -0.0180280
4 44.1762100 -0.0679850
5 20.7847600 -0.2814680
6 10.2275600 -0.6396470
7 5.1512410 1.0829690
8 2.5908470 0.4414690
9 1.2858010 -1.6892300
10 0.6253440 0.9011120
11 0.2939430 0.6121440
12 0.1289970 -0.8529570
D 1
1 11.5936 1.0
D 1
1 7.2491 1.0
D 1
1 0.1289970 1.0000000
F 1
1 17.8628 1.0
F 1
1 8.0392 1.0
F 1
1 3.6180 1.0
F 1
1 1.6283 1.0
F 1
1 0.5721000 1.0000000
G 1
1 12.5406 1.0
G 1
1 6.2306 1.0
G 1
1 3.0956 1.0
G 1
1 1.1951000 1.0000000
H 1
1 11.2261 1.0
H 1
1 5.5189 1.0
H 1
1 2.4250000 1.0000000
I 1
1 11.0188 1.0
I 1
1 5.5487000 1.0000000
$END
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