SRGGW/SupInf/IPqsGW.txt

51 lines
4.5 KiB
Plaintext

Molecule eta=5 eta=1 eta=0.5 eta=0.1 eta=0.05 eta=0.01 eta=0.005 eta=0.001 eta=0
He 25.51 24.93 24.68 24.58 24.62 24.66 24.66 24.66 24.66
Ne 23.3 22.2 21.93 21.83 21.83 21.84 21.71 21.85 21.84
H2 16.56 16.72 16.58 16.45 16.43 None None None None
Li2 4.99 5.2 5.33 5.4 5.4 5.4 5.38 None None
LiH 8.38 8.6 8.49 8.25 8.24 8.27 None None None
HF 17.89 17.01 16.68 16.45 None 16.43 None None None
Ar 16.29 16.01 15.8 15.61 15.56 15.63 None None None
H2O 14.13 13.52 13.21 12.98 12.96 12.95 None None None
LiF 13.12 12.44 12.07 11.75 11.73 11.73 None None None
HCl 13.19 13.09 12.91 12.77 12.77 12.75 None None None
BeO 10.67 10.68 10.52 10.32 10.3 10.29 None None None
CO 15.4 14.91 14.57 14.34 14.33 14.34 None None None
N2 17.11 16.62 16.2 15.93 15.92 15.92 None None None
CH4 15.18 15.04 14.82 14.67 14.66 14.64 None None None
BH3 13.94 13.96 13.77 13.62 13.62 13.59 13.58 None None
NH3 11.98 11.65 11.39 11.18 11.16 11.15 None None None
BF 11.26 11.42 11.32 11.19 11.18 11.16 None None None
BN 11.81 12.15 12.06 11.89 11.88 11.94 None None None
SH2 10.68 10.75 10.62 10.5 10.5 10.52 None None None
F2 18.34 17.01 16.58 16.27 16.22 None None None None
MgO 8.98 9.15 8.91 8.54 8.51 8.48 None None None
O3 13.75 13.79 13.67 13.34 13.31 13.32 None None None
C2H2 11.46 11.69 11.58 11.46 11.45 None None None None
HCN 13.86 14.03 13.89 13.75 13.74 None None None None
B2H6 13.21 13.11 12.86 12.67 12.66 12.65 12.65 None None
CH2O 12.35 11.84 11.54 11.33 11.32 11.32 None None None
C2H4 10.55 10.85 10.79 10.7 10.7 None None None None
SiH4 13.53 13.56 13.34 13.15 13.14 10.69 13.16 None None
PH3 10.83 11. 10.88 10.76 10.76 None 10.77 None None
CH4O 12.58 12.01 11.7 11.49 11.48 10.77 11.48 None None
H2NNH2 10.67 10.28 10.01 9.81 9.8 9.79 None None None
HOOH 13.42 12.56 12.19 11.95 11.94 None None None None
KH 6.76 6.96 6.85 6.5 6.46 11.93 None None None
Na2 4.56 4.77 4.92 5.03 5.04 None 5.05 None None
HN3 11.34 11.27 11.09 10.92 10.9 None None None None
CO2 15.17 14.65 14.35 14.12 14.1 5.05 None None None
PN 12.23 12.5 12.4 12.12 12.08 12.02 None None None
CH2O2 13.21 12.58 12.23 11.97 11.96 11.95 None None None
C4 11.91 11.94 11.76 11.57 11.54 11.51 None None None
C3H6 11.54 11.43 11.22 11.07 11.06 11.06 None None None
C2H3F 10.81 10.93 10.83 10.73 10.72 10.72 10.71 None None
C2H4O 11.89 11.33 11. 10.74 10.73 10.73 None None None
C2H6O 12.35 11.79 11.47 11.25 11.24 None 11.24 None None
C3H8 13.09 12.9 12.66 12.51 12.5 None None None None
NaCl 9.75 9.66 9.47 9.25 None None None None None
P2 10.18 10.49 10.48 10.43 10.43 10.45 None None None
MgF2 15.67 14.92 14.54 14.23 14.21 14.24 None None None
OCS 11.67 11.65 11.5 11.37 11.38 None None None None
SO2 11.75 11.52 11.18 10.85 10.84 10.86 None None None
C2H3Cl 10.41 10.53 10.4 10.27 10.27 10.26 None None None