srDFT_GW/Data/GW20_G0W0HF_cc-pVDZ.dat

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2019-10-01 22:09:37 +02:00
He -24.360368 -9.987567985318515E-003 -1.118223987269628E-002
Ne -20.870401 -1.868658509757709E-002 -2.551101611704089E-002
H2 -16.247824 -6.459913865326900E-003 -6.504721832374245E-003
Li2 -5.230432 -2.767533452529257E-003 -1.849739505142845E-003
LiH -7.963542 -6.000781393535027E-003 -4.971203815509223E-003
FH -15.540918 -1.711887132430942E-002 -2.246136222265273E-002
Ar -15.403565 -1.635375778133622E-002 -1.876239249471002E-002
H2O -12.161519 -1.527927374362843E-002 -1.914090604719703E-002
LiF -10.752923 -1.689489779327683E-002 -2.166869885551579E-002
HCl -12.395230 -1.457718636375921E-002 -1.600566993271322E-002
BeO -9.470737 -1.378458103593500E-002 -1.681862002494580E-002
CO -14.664719 -1.196401392671452E-002 -1.390512257876420E-002
N2 -15.867049 -1.314353334878846E-002 -1.609409820890197E-002
CH4 -14.429716 -9.658960110275542E-003 -1.086678500412829E-002
BH3 -13.349159 -8.243472729207547E-003 -8.624459954052850E-003
NH3 -10.588296 -1.271721214154895E-002 -1.494425572274165E-002
BF -11.083989 -7.721647381940679E-003 -7.696342632925550E-003
BN -11.350516 -1.184894571169354E-002 -1.358658946581404E-002
SH2 -10.097283 -1.257670450779755E-002 -1.307888950883615E-002
F2 -15.929185 -1.799675492836035E-002 -2.373851907928921E-002