srDFT_GW/Data/GW20_G0W0PBE0_cc-pVDZ.dat

21 lines
1.3 KiB
Plaintext

He -23.987286 -9.970220206646715E-003 -1.115317249368842E-002
Ne -20.352307 -1.869828258000789E-002 -2.553309452979178E-002
H2 -15.979304 -6.456973141848198E-003 -6.504286208727608E-003
Li2 -5.151705 -2.897643664130750E-003 -1.975667968424993E-003
LiH -7.319753 -5.886197058121559E-003 -4.902443660875417E-003
FH -14.946828 -1.710259084835358E-002 -2.247172388390358E-002
Ar -14.927924 -1.638237640212032E-002 -1.884280099173473E-002
H2O -11.531122 -1.525433604097024E-002 -1.915698256735758E-002
LiF -9.894029 -1.662296774560769E-002 -2.137147707249268E-002
HCl -11.955958 -1.457872386420383E-002 -1.605598434844921E-002
BeO -9.159787 -1.356244603642949E-002 -1.665531339573895E-002
CO -13.669539 -1.204526931213787E-002 -1.404228359546210E-002
N2 -14.839667 -1.399164116958628E-002 -1.735121861861944E-002
CH4 -13.849529 -9.688305045100128E-003 -1.092570827306613E-002
BH3 -12.867623 -8.276393253506979E-003 -8.675170822753915E-003
NH3 -9.962822 -1.270097891033883E-002 -1.496680259415082E-002
BF -10.660500 -7.916634687402958E-003 -7.973957530310636E-003
BN -11.069671 -1.199998033924550E-002 -1.389566505569254E-002
SH2 -9.685654 -1.257006231094309E-002 -1.311835942186569E-002
F2 -14.923490 -1.801377885528414E-002 -2.381135318696073E-002