SRGGW/SupInf/IPReferences.txt

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2023-03-09 16:32:27 +01:00
Molecule CCSD(T) HF G0W0
He 24.54 24.98 24.59
Ne 21.47 23.15 21.46
H2 16.4 16.16 16.49
Li2 5.25 4.96 5.38
LiH 8.02 8.21 8.22
HF 16.15 17.69 16.25
Ar 15.6 16.08 15.72
H2O 12.69 13.88 12.9
LiF 11.47 12.91 11.4
HCl 12.67 12.98 12.78
BeO 9.95 10.45 9.74
CO 13.99 15.11 14.8
N2 15.54 16.68 17.1
CH4 14.39 14.83 14.76
BH3 13.31 13.59 13.68
NH3 10.91 11.69 11.22
BF 11.15 11.04 11.34
BN 12.05 11.55 11.76
SH2 10.39 10.49 10.51
F2 15.81 18.15 16.35
MgO 7.97 8.75 8.4
O3 12.85 13.29 13.56
C2H2 11.45 11.16 11.57
HCN 13.76 13.5 13.86
B2H6 12.27 12.84 12.81
CH2O 10.93 12.09 11.39
C2H4 10.69 10.26 10.74
SiH4 12.79 13.23 13.22
PH3 10.6 10.6 10.79
CH4O 11.09 12.3 11.55
H2NNH2 9.49 10.38 9.84
HOOH 11.51 13.17 11.96
KH 6.32 6.61 6.44
Na2 4.93 4.53 4.98
HN3 10.77 11. 11.12
CO2 13.8 14.82 14.24
PN 11.9 12. 12.33
CH2O2 11.54 12.94 12.
C4 11.43 11.61 11.77
C3H6 10.83 11.25 11.2
C2H3F 10.63 10.48 10.84
C2H4O 10.29 11.64 10.84
C2H6O 10.82 12.05 11.37
C3H8 12.13 12.73 12.61
NaCl 9.1 9.6 9.2
P2 10.72 10.05 10.49
MgF2 13.93 15.46 13.94
OCS 11.23 11.44 11.52
SO2 10.48 11.47 11.38
C2H3Cl 10.17 10.13 10.39