srDFT_GW/Data/GW20_G0W0PBE_cc-pVDZ.dat

21 lines
1.3 KiB
Plaintext

He -15.378779 -9.958935856336712E-003 -1.113422089386201E-002
Ne -12.027563 -1.869709916453592E-002 -2.552405495260383E-002
H2 -15.763955 -6.432040616873403E-003 -6.467651350169915E-003
Li2 -4.946696 -2.880325647724898E-003 -1.972974686464874E-003
LiH -6.433839 -5.769676224806086E-003 -4.815988973641792E-003
FH -14.599567 -1.709205475706063E-002 -2.246193560082638E-002
Ar -14.740863 -1.637932091767093E-002 -1.883396551947277E-002
H2O -11.174272 -1.524333404888843E-002 -1.915523144264311E-002
LiF -8.964571 -1.644884343085039E-002 -2.116705850900845E-002
HCl -11.778310 -1.456486645883458E-002 -1.603752236249543E-002
BeO -8.692987 -1.346145388538820E-002 -1.656874842788823E-002
CO -13.200322 -1.207902976475305E-002 -1.409439668333939E-002
N2 -14.359423 -1.396613993044641E-002 -1.732134292641036E-002
CH4 -13.563779 -9.671703745672899E-003 -1.090985156584908E-002
BH3 -12.596894 -8.262484578954081E-003 -8.651796016355464E-003
NH3 -9.629320 -1.268615569397431E-002 -1.495968857972201E-002
BF -10.409091 -7.977354965972646E-003 -8.056134611306071E-003
BN -10.715178 -1.198860733314463E-002 -1.391791179683605E-002
SH2 -9.524755 -1.254961570843375E-002 -1.309495614232369E-002
F2 -14.380307 -1.801938071354201E-002 -2.383368897146462E-002