srDFT_GW/Data/GW20_G0W0PBE_cc-pVQZ.dat

21 lines
1.3 KiB
Plaintext
Raw Normal View History

2019-10-01 22:09:37 +02:00
He -15.734446 -1.943769140791279E-003 -1.780975752796018E-003
Ne -13.139155 -6.054392530521078E-003 -6.496977349084663E-003
H2 -15.845234 -1.019736945797190E-003 -8.857251486484391E-004
Li2 -5.015705 -7.606436314260739E-004 -6.860181990021691E-004
LiH -6.553591 -1.118179225833103E-003 -9.612677215758114E-004
FH -15.452357 -5.305732348142746E-003 -5.416901616903540E-003
Ar -15.160721 -5.820847490890179E-003 -5.720716467062582E-003
H2O -12.079536 -4.432592221913644E-003 -4.304735889755303E-003
LiF -9.934487 -5.185997403685872E-003 -5.198956367704274E-003
HCl -12.272821 -4.870904079156505E-003 -4.559949994374876E-003
BeO -9.628840 -4.022805017187464E-003 -3.833400140829408E-003
CO -13.609285 -3.271371018726093E-003 -3.004579315204670E-003
N2 -14.921205 -3.954529898858369E-003 -3.743135942688123E-003
CH4 -13.936490 -2.068576798558988E-003 -1.833906459066329E-003
BH3 -12.877579 -1.601023446149786E-003 -1.380744014761609E-003
NH3 -10.395281 -3.229803888058368E-003 -2.952251158609105E-003
BF -10.582597 -1.835680376204449E-003 -1.581002263114139E-003
BN -11.002878 -3.312712556358120E-003 -2.968145368955789E-003
SH2 -10.048669 -3.870037455980728E-003 -3.440354574828606E-003
F2 -15.045636 -5.780298752393338E-003 -6.001528106676554E-003