srDFT_GW/Data/GW20_G0W0PBE0_cc-pVQZ.dat

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1.3 KiB
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He -24.034187 -1.950910759536827E-003 -1.787716456272295E-003
Ne -21.051193 -6.069008360576131E-003 -6.516662567479650E-003
H2 -16.192808 -1.025613730485636E-003 -8.903882257909284E-004
Li2 -5.280457 -7.400913982489523E-004 -6.585628760616616E-004
LiH -7.557814 -1.131098400965237E-003 -9.664865007211334E-004
FH -15.821328 -5.328025748127403E-003 -5.438816055216240E-003
Ar -15.419980 -5.836737582207424E-003 -5.732273498090391E-003
H2O -12.432805 -4.456599533468076E-003 -4.325050731436139E-003
LiF -10.821609 -5.243088654453252E-003 -5.252618291067582E-003
HCl -12.503408 -4.890574540633772E-003 -4.574777218022225E-003
BeO -9.630753 -4.060176375903438E-003 -3.857898404378352E-003
CO -14.134781 -3.283505597483820E-003 -3.015673924918620E-003
N2 -15.439604 -3.977784030169917E-003 -3.766453131041115E-003
CH4 -14.265820 -2.073652442982624E-003 -1.837485320777554E-003
BH3 -13.224318 -1.605099257328252E-003 -1.383885275745569E-003
NH3 -10.727611 -3.248195316871663E-003 -2.967655914218891E-003
BF -10.918809 -1.825297664322471E-003 -1.568558611615906E-003
BN -11.536871 -3.331882117499024E-003 -2.980349682645702E-003
SH2 -10.245739 -3.889771434863835E-003 -3.454951683505315E-003
F2 -15.570996 -5.792686580589245E-003 -6.012607989338599E-003