srDFT_GW/Data/GW20_G0W0PBE_def2QZVP.dat

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2019-10-01 19:28:13 +02:00
He 23.48 -1.997324745391456E-003 -1.850802803304602E-003
Ne 20.38 -6.322301359999134E-003 -6.971952900560241E-003
H2 15.81 -1.045309618837002E-003 -9.084102111918909E-004
Li2 4.99 -1.232593674838952E-003 -9.286424136000784E-004
LiH 6.55 -1.269853648201570E-003 -1.030609701738212E-003
FH 15.30 -5.395441625038589E-003 -5.562130472126384E-003
Ar 15.13 -5.371770214221379E-003 -5.057894627575724E-003
H2O 11.97 -4.454717158503423E-003 -4.352582182140534E-003
LiF 9.95 -5.425303692736716E-003 -5.452453918831657E-003
HCl 12.25 -4.465514016672193E-003 -4.036548711975071E-003
BeO 8.62 -4.531372626202084E-003 -4.287438847341771E-003
CO 13.57 -3.372832929564403E-003 -3.107261165852333E-003
N2 14.89 -4.076701512487887E-003 -3.871184209209662E-003
CH4 13.93 -2.108368776438727E-003 -1.872107903551930E-003
BH3 12.87 -1.644364056641379E-003 -1.419512492160228E-003
NH3 10.31 -3.232143920297652E-003 -2.960884191223434E-003
BF 10.56 -1.874144061558473E-003 -1.619451669958388E-003
BN 11.01 -3.376289850560608E-003 -3.039963926482861E-003
SH2 10.03 -3.491227158960432E-003 -3.017442770335328E-003
F2 14.96 -5.923843498779722E-003 -6.217172289802977E-003