srDFT_GW/Data/GW20_G0W0HF_cc-pVQZ.dat

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2019-10-01 22:09:37 +02:00
He -24.674916 -1.965483779781010E-003 -1.800881518295065E-003
Ne -21.630023 -6.095033730277050E-003 -6.545777335202551E-003
H2 -16.555028 -1.029551856129763E-003 -8.927078341465114E-004
Li2 -5.390702 -6.612411615850747E-004 -5.735984202045644E-004
LiH -8.245222 -1.123153896767052E-003 -9.474344567830626E-004
FH -16.418930 -5.368869576266095E-003 -5.474058561012456E-003
Ar -15.928210 -5.818728804121818E-003 -5.690642454711251E-003
H2O -13.037230 -4.498128536332443E-003 -4.356356353189116E-003
LiF -11.585033 -5.332520727974322E-003 -5.331273638480048E-003
HCl -12.962589 -4.878054524518389E-003 -4.544671683690969E-003
BeO -9.976187 -4.137529070338016E-003 -3.903757825422277E-003
CO -15.170517 -3.294196605396022E-003 -3.024856917768499E-003
N2 -16.482595 -3.820295102714552E-003 -3.510524867092146E-003
CH4 -14.855137 -2.059955054861389E-003 -1.823478971518754E-003
BH3 -13.739371 -1.597325430374967E-003 -1.376744512737547E-003
NH3 -11.324756 -3.269297993144099E-003 -2.981707127709431E-003
BF -11.383696 -1.774355110634865E-003 -1.513030185091301E-003
BN -11.847418 -3.313155855411589E-003 -2.946096919076746E-003
SH2 -10.651404 -3.872771084415613E-003 -3.425798546477769E-003
F2 -16.507932 -5.816839305787616E-003 -6.031031562213652E-003