srDFT_GW/Data/GW20_G0W0PBE0_cc-pVTZ.dat

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2019-10-02 15:18:29 +02:00
He -23.977155 -4.316819616138304E-003 -4.356359313302174E-003
Ne -20.878867 -1.016913018690701E-002 -1.236370643685474E-002
H2 -16.133862 -2.400492542888833E-003 -2.109904390692920E-003
Li2 -5.241714 -1.310947806461334E-003 -1.017979962343052E-003
LiH -7.487382 -2.381072112487195E-003 -1.915321467417644E-003
FH -15.605434 -9.158214428436446E-003 -1.052877695156859E-002
Ar -15.246456 -9.442699251768511E-003 -9.952621895304022E-003
H2O -12.212648 -7.918407014657857E-003 -8.579958997028257E-003
LiF -10.595319 -9.027325133781742E-003 -1.011566752864383E-002
HCl -12.335514 -8.129100118392412E-003 -8.163005110306239E-003
BeO -9.441862 -7.254750982718590E-003 -7.607359214733100E-003
CO -14.017856 -6.083504575025597E-003 -6.117263720288026E-003
N2 -15.298868 -7.227847603001163E-003 -7.645749618988126E-003
CH4 -14.153967 -4.338247885836373E-003 -4.117011621508897E-003
BH3 -13.130886 -3.520616053202038E-003 -3.170433294652651E-003
NH3 -10.556383 -6.187212091469258E-003 -6.184873276029846E-003
BF -10.865369 -3.630386968962828E-003 -3.262364627198543E-003
BN -11.395562 -6.145181781101807E-003 -6.012485805203447E-003
SH2 -10.097747 -6.695014666783144E-003 -6.356221754910018E-003
F2 -15.378925 -9.810090533654626E-003 -1.151088073331682E-002