srDFT_GW/Data/GW20_G0W0PBE_cc-pV5Z.dat

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1.4 KiB
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He -15.749996 -9.920098398380703E-004 -9.001477055786376E-004
Ne -13.304320 -3.744194347925102E-003 -3.710355635264347E-003
H2 -15.827049 -4.925368235085295E-004 -4.392217337624526E-004
Li2 -5.031775 -5.083668758680040E-004 -4.923518990625437E-004
LiH -6.573294 -6.410703139628532E-004 -5.824839275170457E-004
FH -15.396426 -3.193624453974030E-003 -3.046953097902373E-003
Ar -10.274908 -3.621917108882068E-003 -3.262357268248531E-003
H2O -12.048742 -2.587353257977332E-003 -2.383539201917688E-003
LiF -10.043086 -3.135650108474704E-003 -2.954861969202616E-003
HCl -5.858947 -2.907137049742724E-003 -2.528556918653114E-003
BeO -9.693575 -2.384323466043234E-003 -2.174996546501166E-003
CO -13.621024 -1.891870203519964E-003 -1.685051334397386E-003
N2 -14.946416 -2.307286274058239E-003 -2.093713845153413E-003
CH4 -13.956316 -1.098385373488270E-003 -9.708841949369769E-004
BH3 -12.895558 -8.345146280060334E-004 -7.280910141672496E-004
NH3 -10.342404 -1.827983596926053E-003 -1.627599162626546E-003
BF -10.583407 -1.028910588838452E-003 -8.842866503161580E-004
BN -11.027114 -1.893782382124398E-003 -1.658876442621958E-003
SH2 -8.706177 -2.208292658954667E-003 -1.867176158764668E-003
F2 -15.066630 -3.521112892348790E-003 -3.396036349580089E-003