| Empirical | Chemical Name | Expt. |
PM7 |
PM6 |
RM1 |
PM3 |
AM1 |
MNDOD |
MNDO |
| H2 | Hydrogen | 15.40 |
-0.37 |
-0.36 |
-0.37 |
0.71 |
-0.48 |
0.35 |
0.35 |
| B4H10 | Tetraborane(10) | 11.50 |
-0.46 |
-0.32 |
- |
0.52 |
- |
1.00 |
1.00 |
| B5H9 | Pentaborane(9) | 10.52 |
-0.07 |
-0.63 |
- |
1.37 |
- |
0.94 |
0.94 |
| B5H11 | Pentaborane(11) | 10.70 |
-0.16 |
-0.29 |
- |
0.87 |
- |
1.32 |
1.32 |
| B6H10 | Hexaborane(10) | 9.40 |
0.44 |
0.00 |
- |
2.05 |
- |
1.54 |
1.54 |
| B10H14 | Decaborane(14) | 9.88 |
0.67 |
0.34 |
- |
1.98 |
- |
1.41 |
1.41 |
| CH4 | Methane | 13.60 |
0.13 |
0.08 |
-0.38 |
0.04 |
-0.29 |
0.27 |
0.27 |
| C2H2 | Acetylene | 11.40 |
0.22 |
0.19 |
-0.03 |
0.21 |
0.10 |
-0.39 |
-0.39 |
| C2H4 | Ethylene | 10.51 |
0.24 |
0.17 |
-0.13 |
0.13 |
0.04 |
-0.33 |
-0.33 |
| C2H6 | Ethane | 12.00 |
-0.03 |
-0.08 |
-0.34 |
-0.02 |
-0.23 |
0.70 |
0.70 |
| BeC2H6 | Dimethylberyllium | 10.67 |
0.78 |
0.26 |
- |
0.47 |
-0.57 |
0.10 |
0.10 |
| C3 | Carbon, trimer | 11.10 |
-0.17 |
-0.39 |
0.07 |
0.65 |
0.23 |
-0.06 |
-0.06 |
| C3H4 | Allene | 10.07 |
0.33 |
0.30 |
-0.08 |
0.11 |
0.07 |
-0.05 |
-0.05 |
| C3H4 | Cyclopropene | 9.86 |
0.31 |
0.22 |
-0.16 |
0.01 |
-0.04 |
0.03 |
0.03 |
| C3H4 | Propyne | 10.37 |
0.39 |
0.36 |
0.29 |
0.53 |
0.37 |
0.35 |
0.35 |
| C3H6 | Cyclopropane | 11.00 |
0.59 |
0.41 |
0.30 |
0.78 |
0.48 |
0.43 |
0.43 |
| C3H6 | Propene | 9.88 |
0.24 |
0.16 |
-0.03 |
0.23 |
0.11 |
0.08 |
0.08 |
| C3H8 | Propane | 11.50 |
-0.11 |
-0.16 |
-0.31 |
0.01 |
-0.18 |
0.83 |
0.83 |
| C4H2 | Diacetylene | 10.17 |
0.36 |
0.41 |
0.16 |
0.30 |
0.20 |
-0.19 |
-0.19 |
| C4H4 | CH2=C=C=CH2 | 9.10 |
0.55 |
0.52 |
0.10 |
0.24 |
0.24 |
-0.09 |
-0.09 |
| C4H6 | 1,2-Butadiene | 9.15 |
0.64 |
0.57 |
0.38 |
0.57 |
0.52 |
0.69 |
0.69 |
| C4H6 | 1,3-Butadiene | 9.08 |
0.53 |
0.50 |
0.16 |
0.39 |
0.25 |
0.06 |
0.06 |
| C4H6 | 1-Butyne | 10.20 |
0.43 |
0.42 |
0.34 |
0.57 |
0.43 |
0.48 |
0.48 |
| C4H6 | 2-Butyne | 9.60 |
0.45 |
0.42 |
0.52 |
0.74 |
0.57 |
0.87 |
0.87 |
| C4H6 | Cyclobutene | 9.43 |
0.50 |
0.38 |
0.14 |
0.39 |
0.29 |
0.34 |
0.34 |
| C4H8 | 1-Butene | 9.70 |
0.33 |
0.27 |
0.08 |
0.33 |
0.23 |
0.24 |
0.24 |
| C4H8 | Cyclobutane | 10.70 |
0.37 |
0.32 |
0.05 |
0.32 |
0.29 |
1.10 |
1.10 |
| C4H10 | Isobutane | 11.40 |
-0.12 |
-0.19 |
-0.15 |
0.19 |
-0.11 |
0.72 |
0.72 |
| C4H10 | n-Butane, trans | 11.20 |
-0.03 |
-0.07 |
-0.17 |
0.15 |
-0.03 |
1.01 |
1.01 |
| BeC4H10 | Diethylberyllium | 9.46 |
0.84 |
0.59 |
- |
0.88 |
0.12 |
0.96 |
0.96 |
| C5H6 | Cyclopentadiene | 8.57 |
0.74 |
0.63 |
0.42 |
0.66 |
0.51 |
0.47 |
0.47 |
| C5H8 | Cyclopentene | 9.18 |
0.32 |
0.25 |
0.12 |
0.35 |
0.26 |
0.54 |
0.54 |
| C5H10 | Cyclopentane | 10.50 |
0.52 |
0.51 |
0.31 |
0.58 |
0.47 |
1.56 |
1.56 |
| C5H12 | n-Pentane | 10.30 |
0.78 |
0.74 |
0.67 |
0.99 |
0.81 |
1.85 |
1.85 |
| C5H12 | Neopentane | 11.30 |
0.08 |
0.04 |
0.24 |
0.76 |
0.23 |
0.82 |
0.82 |
| BeC5H6 | Cyclopentadienylberyllium hydride | 9.64 |
0.25 |
-0.06 |
- |
-0.57 |
-0.12 |
0.23 |
0.23 |
| C6H6 | Benzene | 9.25 |
0.57 |
0.39 |
0.18 |
0.50 |
0.40 |
0.14 |
0.14 |
| C6H10 | Cyclohexene | 10.30 |
-0.81 |
-0.90 |
-0.94 |
-0.71 |
-0.81 |
-0.55 |
-0.55 |
| C6H12 | Cyclohexane | 10.30 |
0.51 |
0.48 |
0.57 |
0.99 |
0.64 |
1.44 |
1.44 |
| C7H8 | Cycloheptatriene | 8.50 |
0.51 |
0.39 |
0.37 |
0.46 |
0.25 |
0.22 |
0.22 |
| C7H8 | Toluene | 8.82 |
0.61 |
0.42 |
0.32 |
0.62 |
0.51 |
0.46 |
0.46 |
| C8H10 | Ethylbenzene | 8.80 |
0.65 |
0.47 |
0.39 |
0.72 |
0.58 |
0.48 |
0.48 |
| C8H14 | Bicyclo(2.2.2)-octane | 9.45 |
0.93 |
0.89 |
1.07 |
1.49 |
1.11 |
1.95 |
1.95 |
| C10H8 | Naphthalene | 8.15 |
0.80 |
0.73 |
0.45 |
0.69 |
0.56 |
0.42 |
0.42 |
| C10H16 | Adamantane | 9.60 |
0.60 |
0.57 |
0.80 |
1.25 |
0.83 |
1.67 |
1.67 |
| C14H10 | Anthracene | 8.16 |
0.23 |
0.21 |
-0.12 |
0.09 |
-0.04 |
-0.11 |
-0.11 |
| NH3 | Ammonia | 10.85 |
-0.70 |
-0.75 |
-1.02 |
-1.16 |
-0.44 |
0.34 |
0.34 |
| CNH | Hydrogen cyanide | 13.60 |
0.20 |
-0.47 |
0.06 |
-1.00 |
0.08 |
-0.19 |
-0.19 |
| CNH5 | Methylamine | 9.60 |
-0.12 |
-0.18 |
-0.26 |
-0.20 |
0.16 |
0.96 |
0.96 |
| C2NH3 | Acetonitrile | 12.21 |
0.56 |
0.56 |
0.52 |
0.12 |
0.25 |
0.58 |
0.58 |
| C2NH3 | Methyl isocyanide | 11.32 |
0.28 |
0.17 |
0.55 |
0.38 |
0.66 |
0.92 |
0.92 |
| C2NH5 | Ethyleneimine (Azirane) | 9.90 |
0.27 |
0.07 |
0.17 |
0.02 |
0.42 |
0.78 |
0.78 |
| C2NH7 | Dimethylamine | 8.93 |
0.15 |
0.03 |
0.24 |
0.29 |
0.47 |
1.12 |
1.12 |
| C2NH7 | Ethylamine | 9.50 |
0.02 |
-0.04 |
-0.02 |
0.00 |
0.39 |
1.00 |
1.00 |
| C3NH | CH.C.CN | 11.75 |
0.20 |
0.24 |
0.04 |
-0.17 |
-0.10 |
-0.40 |
-0.40 |
| C3NH3 | Acrylonitrile | 10.91 |
0.37 |
0.34 |
0.00 |
-0.03 |
-0.05 |
-0.30 |
-0.30 |
| C3NH5 | Ethyl cyanide | 11.90 |
0.38 |
0.40 |
0.18 |
0.11 |
0.09 |
0.69 |
0.69 |
| C3NH9 | Trimethylamine | 8.54 |
0.28 |
0.12 |
0.60 |
0.53 |
0.58 |
1.05 |
1.05 |
| C4NH5 | Pyrrole | 8.21 |
0.81 |
0.69 |
0.36 |
0.72 |
0.45 |
0.35 |
0.35 |
| C5NH5 | Pyridine | 9.67 |
0.57 |
0.43 |
0.14 |
0.43 |
0.26 |
0.02 |
0.02 |
| C6NH7 | Aniline | 7.70 |
0.62 |
0.52 |
0.37 |
0.37 |
0.51 |
0.51 |
0.51 |
| C7NH5 | Phenyl cyanide | 9.70 |
0.63 |
0.48 |
0.24 |
0.40 |
0.32 |
0.11 |
0.11 |
| N2 | Nitrogen | 15.60 |
-1.94 |
-2.74 |
-2.29 |
-1.80 |
-1.28 |
-0.73 |
-0.73 |
| CN2H2 | Diazomethane | 9.00 |
0.54 |
0.53 |
0.03 |
0.22 |
-0.18 |
-0.33 |
-0.33 |
| CN2H6 | Methylhydrazine | 9.30 |
-0.55 |
-0.72 |
-0.69 |
-0.37 |
-0.35 |
0.36 |
0.36 |
| C2N2 | Cyanogen | 13.36 |
0.43 |
0.22 |
0.51 |
-0.49 |
-0.05 |
-0.16 |
-0.16 |
| CN3H3 | Methyl Azide | 9.81 |
0.11 |
0.13 |
0.08 |
0.15 |
-0.22 |
0.11 |
0.11 |
| H2O | Water | 12.62 |
-0.51 |
-0.71 |
-0.36 |
-0.30 |
-0.16 |
-0.43 |
-0.43 |
| Li2O | Lithium oxide (Li2O) | 6.20 |
1.61 |
1.85 |
- |
3.00 |
1.55 |
2.90 |
3.01 |
| CO | Carbon monoxide | 14.01 |
-1.68 |
-1.99 |
-0.99 |
-0.98 |
-0.70 |
-0.58 |
-0.58 |
| CH2O | Formaldehyde | 10.10 |
0.25 |
0.10 |
0.46 |
0.53 |
0.68 |
0.94 |
0.94 |
| CH4O | Methanol | 10.96 |
-0.23 |
-0.43 |
0.00 |
0.17 |
0.17 |
0.46 |
0.46 |
| BCH3O | BH3CO | 11.92 |
-0.29 |
-0.18 |
- |
0.22 |
- |
0.68 |
0.68 |
| C2H2O | Ketene | 9.64 |
0.25 |
0.22 |
-0.16 |
-0.18 |
-0.04 |
-0.35 |
-0.35 |
| C2H4O | Acetaldehyde | 10.21 |
0.09 |
0.03 |
0.36 |
0.50 |
0.51 |
0.67 |
0.67 |
| C2H4O | Ethylene oxide | 10.57 |
-0.02 |
-0.30 |
0.49 |
0.77 |
0.76 |
0.92 |
0.92 |
| C2H6O | Dimethyl ether | 10.04 |
-0.09 |
-0.28 |
0.41 |
0.65 |
0.57 |
1.00 |
1.00 |
| C2H6O | Ethanol | 10.60 |
-0.07 |
-0.21 |
0.09 |
0.30 |
0.27 |
0.70 |
0.70 |
| C3H4O | Acrolein | 10.11 |
0.16 |
0.08 |
0.41 |
0.57 |
0.58 |
0.53 |
0.53 |
| C3H6O | Acetone | 9.72 |
0.52 |
0.54 |
0.85 |
1.05 |
0.95 |
1.03 |
1.03 |
| C3H6O | Propanal | 10.00 |
0.19 |
0.10 |
0.44 |
0.62 |
0.59 |
0.82 |
0.82 |
| C4H4O | Furan | 8.88 |
0.67 |
0.66 |
0.34 |
0.50 |
0.44 |
0.26 |
0.26 |
| C4H8O | Butanal | 9.83 |
0.35 |
0.27 |
0.61 |
0.80 |
0.76 |
0.97 |
0.97 |
| C4H10O | Diethyl ether | 9.60 |
0.13 |
-0.01 |
0.61 |
0.88 |
0.79 |
1.31 |
1.31 |
| C7H6O | Benzaldehyde | 9.70 |
0.47 |
0.36 |
0.07 |
0.35 |
0.30 |
0.04 |
0.04 |
| C7H8O | Anisole | 8.40 |
0.57 |
0.43 |
0.43 |
0.71 |
0.61 |
0.44 |
0.44 |
| CNHO | Hydrogen isocyanate | 11.60 |
-0.41 |
-0.37 |
-0.37 |
-1.01 |
-0.36 |
-0.50 |
-0.50 |
| CO2 | Carbon dioxide | 13.78 |
-1.02 |
-0.79 |
-0.87 |
-1.04 |
-0.57 |
-0.99 |
-0.99 |
| CH2O2 | Formic acid | 11.51 |
0.02 |
0.07 |
0.14 |
0.05 |
0.31 |
0.23 |
0.23 |
| C2H2O2 | trans Glyoxal | 10.59 |
-0.32 |
-0.50 |
-0.15 |
-0.02 |
0.07 |
0.16 |
0.16 |
| C2H4O2 | Acetic acid | 10.80 |
0.51 |
0.62 |
0.68 |
0.64 |
0.83 |
0.77 |
0.77 |
| C2H4O2 | Methyl formate | 11.02 |
0.11 |
0.17 |
0.36 |
0.33 |
0.55 |
0.59 |
0.59 |
| C2H6O2 | Dimethyl peroxide | 10.60 |
-1.24 |
-1.60 |
-0.47 |
0.18 |
-0.36 |
-0.03 |
-0.03 |
| C3O2 | Carbon suboxide | 10.60 |
0.08 |
0.19 |
-0.21 |
-0.38 |
-0.10 |
-0.53 |
-0.53 |
| C3H4O2 | beta-Propiolactone | 10.60 |
0.44 |
0.59 |
0.63 |
0.69 |
0.77 |
0.80 |
0.80 |
| C3H6O2 | Methyl acetate | 10.60 |
0.35 |
0.47 |
0.65 |
0.67 |
0.81 |
0.86 |
0.86 |
| C3H6O2 | Propionic acid | 10.50 |
0.68 |
0.77 |
0.86 |
0.85 |
1.00 |
1.02 |
1.02 |
| C5H8O2 | Acetylacetone | 9.15 |
1.20 |
1.26 |
1.45 |
1.68 |
1.54 |
1.62 |
1.62 |
| C7H6O2 | Benzoic acid | 9.80 |
0.46 |
0.39 |
0.06 |
0.33 |
0.28 |
-0.04 |
-0.04 |
| CNH3O2 | Methyl nitrite | 11.00 |
-0.58 |
-0.85 |
-0.05 |
-0.36 |
0.19 |
0.41 |
0.41 |
| CNH3O2 | Nitromethane | 11.30 |
-0.06 |
0.12 |
0.42 |
0.88 |
0.68 |
0.24 |
0.24 |
| C3NH7O2 | Alanine | 8.90 |
1.07 |
1.13 |
1.03 |
0.98 |
1.47 |
1.92 |
1.92 |
| C6NH5O2 | Nitrobenzene | 9.90 |
0.83 |
0.72 |
0.42 |
0.70 |
0.66 |
0.41 |
0.41 |
| O3 | Ozone | 12.75 |
-0.11 |
-1.22 |
-0.19 |
-0.06 |
0.35 |
-0.04 |
-0.04 |
| C4H2O3 | Maleic anhydride | 10.84 |
0.70 |
0.84 |
1.04 |
0.87 |
1.18 |
0.86 |
0.86 |
| C7H6O3 | o-Salicylic acid | 9.80 |
-0.19 |
-0.21 |
-0.55 |
-0.34 |
-0.33 |
-0.53 |
-0.53 |
| C2H2O4 | Oxalic acid | 11.20 |
0.05 |
0.11 |
0.37 |
0.40 |
0.57 |
0.47 |
0.47 |
| N2O4 | Dinitrogen tetroxide | 11.40 |
-0.19 |
-0.22 |
-0.25 |
0.21 |
-0.18 |
0.65 |
0.65 |
| N2O5 | Dinitrogen pentoxide | 12.30 |
0.04 |
0.30 |
0.92 |
0.08 |
1.32 |
0.88 |
0.88 |
| HF | Hydrogen fluoride | 16.06 |
-0.26 |
-0.24 |
-0.44 |
0.08 |
-1.97 |
-1.24 |
-1.24 |
| LiF | Lithium fluoride | 11.30 |
0.09 |
1.10 |
- |
1.86 |
-0.67 |
0.33 |
0.66 |
| CH3F | Fluoromethane | 13.31 |
-0.14 |
-0.04 |
-0.79 |
-0.39 |
-1.21 |
-0.26 |
-0.26 |
| C2HF | Fluoroacetylene | 11.30 |
0.34 |
0.29 |
0.04 |
0.26 |
-0.15 |
-0.24 |
-0.24 |
| C2H3F | Fluoroethylene | 10.58 |
0.26 |
0.23 |
-0.29 |
0.02 |
-0.34 |
-0.41 |
-0.41 |
| C2H5F | Fluoroethane | 12.43 |
-0.32 |
-0.26 |
-0.71 |
-0.36 |
-0.86 |
0.18 |
0.18 |
| C3H7F | 2-Fluoropropane | 11.08 |
0.86 |
0.88 |
0.65 |
1.03 |
0.44 |
1.26 |
1.26 |
| C6H5F | Fluorobenzene | 9.19 |
0.75 |
0.59 |
0.27 |
0.62 |
0.36 |
0.28 |
0.28 |
| NOF | Nitrosyl fluoride | 12.94 |
-1.13 |
-1.53 |
-0.44 |
-1.39 |
-0.42 |
-0.01 |
-0.01 |
| C7H5O2F | p-Fluorobenzoic acid | 9.90 |
0.44 |
0.38 |
-0.04 |
0.27 |
0.05 |
-0.07 |
-0.07 |
| NO2F | Fluorine nitrite | 13.51 |
-0.77 |
-0.67 |
-0.40 |
-0.14 |
-0.12 |
-0.52 |
-0.52 |
| BeF2 | Beryllium difluoride | 14.50 |
0.70 |
0.38 |
- |
1.10 |
-1.34 |
-0.06 |
-0.06 |
| CH2F2 | Difluoromethane | 13.17 |
0.02 |
0.19 |
-0.68 |
-0.31 |
-1.14 |
-0.08 |
-0.08 |
| C2F2 | Difluoroacetylene | 11.20 |
0.44 |
0.34 |
0.16 |
0.34 |
-0.27 |
-0.03 |
-0.03 |
| C2H2F2 | gem-Difluoroethylene | 10.72 |
0.08 |
0.07 |
-0.55 |
-0.19 |
-0.73 |
-0.54 |
-0.54 |
| C2H4F2 | 1,1-Difluoroethane | 12.80 |
0.05 |
0.15 |
-0.39 |
0.02 |
-0.87 |
-0.07 |
-0.07 |
| N2F2 | trans-Difluorodiazene | 13.40 |
-1.26 |
-1.87 |
-1.24 |
-1.49 |
-1.15 |
-0.40 |
-0.40 |
| OF2 | Difluorine oxide | 13.26 |
-1.39 |
-2.06 |
-0.15 |
0.21 |
-0.36 |
0.26 |
0.26 |
| BF3 | Boron trifluoride | 15.70 |
-0.83 |
-0.44 |
- |
1.54 |
- |
0.53 |
0.53 |
| CHF3 | Trifluoromethane | 14.80 |
-0.34 |
-0.27 |
-0.57 |
-0.44 |
-1.48 |
-0.22 |
-0.22 |
| C2HF3 | Trifluoroethylene | 10.54 |
0.44 |
0.41 |
-0.15 |
0.14 |
-0.45 |
-0.08 |
-0.08 |
| C2H3F3 | 1,1,1-Trifluoroethane | 13.80 |
0.27 |
0.32 |
0.14 |
0.58 |
-0.68 |
0.21 |
0.21 |
| C7H5F3 | Trifluoromethylbenzene | 9.68 |
0.78 |
0.62 |
0.41 |
0.66 |
0.57 |
0.39 |
0.39 |
| NF3 | Nitrogen trifluoride | 13.73 |
-0.33 |
-0.91 |
-0.16 |
-1.49 |
-0.55 |
0.20 |
0.20 |
| C2HO2F3 | Trifluoroacetic acid | 12.00 |
0.21 |
0.27 |
0.55 |
0.47 |
0.49 |
0.73 |
0.73 |
| CF4 | Carbon tetrafluoride | 16.23 |
-0.14 |
-0.19 |
0.65 |
0.56 |
-0.91 |
0.58 |
0.58 |
| C2F4 | Tetrafluoroethylene | 10.50 |
0.59 |
0.51 |
0.09 |
0.31 |
-0.31 |
0.24 |
0.24 |
| N2F4 | Tetrafluorohydrazine | 12.00 |
0.82 |
0.08 |
0.54 |
-0.03 |
0.47 |
1.19 |
1.19 |
| C6HF5 | Pentafluorobenzene | 9.75 |
0.99 |
0.83 |
0.53 |
0.80 |
0.32 |
0.65 |
0.65 |
| C2F6 | Hexafluoroethane | 14.60 |
-0.34 |
-0.24 |
-0.36 |
-0.12 |
-1.36 |
-0.10 |
-0.10 |
| C6F6 | Hexafluorobenzene | 10.90 |
0.14 |
-0.02 |
-0.25 |
-0.05 |
-0.53 |
-0.13 |
-0.13 |
| C3OF6 | Perfluoroacetone | 12.10 |
0.07 |
-0.04 |
0.54 |
0.61 |
0.24 |
0.90 |
0.90 |
| NaBO2 | NaBO2 | 9.20 |
0.50 |
0.40 |
- |
0.20 |
- |
0.55 |
0.44 |
| MgC10H10 | Dicyclopentadienyl magnesium | 11.00 |
-2.20 |
-2.39 |
- |
-2.64 |
-2.67 |
-2.22 |
-2.79 |
| MgF2 | Magnesium difluoride | 13.30 |
0.06 |
-0.47 |
- |
0.58 |
-1.31 |
0.36 |
-0.55 |
| AlC3H9 | Trimethylaluminum | 9.76 |
0.34 |
0.55 |
- |
0.36 |
0.56 |
0.82 |
0.92 |
| SiC2H6 | Vinylsilane | 10.40 |
0.31 |
0.08 |
- |
-0.39 |
0.00 |
0.35 |
-0.17 |
| SiC2H8 | Dimethylsilane | 11.20 |
0.31 |
-0.57 |
- |
-0.55 |
-0.03 |
0.76 |
0.27 |
| SiC2H8 | Ethylsilane | 10.18 |
0.75 |
0.17 |
- |
0.45 |
0.89 |
1.66 |
0.96 |
| SiC3H10 | Trimethylsilane | 10.70 |
0.53 |
-0.44 |
- |
-0.20 |
0.24 |
1.04 |
0.70 |
| SiC4H12 | Tetramethylsilane | 9.80 |
1.18 |
0.13 |
- |
0.62 |
1.12 |
1.74 |
1.54 |
| SiH2F2 | Difluorosilane | 12.85 |
0.29 |
-1.29 |
- |
-2.03 |
-1.23 |
1.23 |
-0.63 |
| SiF4 | Silicon tetrafluoride | 15.81 |
-0.10 |
-0.46 |
- |
-0.62 |
-1.09 |
0.84 |
0.02 |
| Si2C6NH19 | Hexamethyldisilazane | 8.66 |
0.06 |
0.48 |
- |
-0.32 |
0.83 |
1.94 |
1.03 |
| PH3 | Phosphine | 9.98 |
1.21 |
-0.25 |
0.01 |
-1.31 |
0.44 |
-0.51 |
1.36 |
| CPH | Methinophosphine | 10.79 |
1.81 |
0.33 |
-0.10 |
-0.05 |
0.43 |
-0.31 |
0.44 |
| CPH5 | Methylphosphine | 9.72 |
0.55 |
-0.41 |
-0.23 |
-1.06 |
0.10 |
-0.59 |
1.07 |
| C2PH7 | Dimethylphosphine | 9.10 |
0.44 |
-0.16 |
-0.01 |
-0.43 |
0.21 |
-0.35 |
1.14 |
| C3PH9 | Trimethylphosphine | 8.60 |
0.41 |
0.06 |
0.26 |
0.22 |
0.33 |
-0.13 |
1.27 |
| C3PH9O3 | Trimethyl phosphite | 9.00 |
0.34 |
0.61 |
0.44 |
0.55 |
1.01 |
-0.26 |
1.52 |
| PF3 | Phosphorus trifluoride | 9.71 |
1.74 |
1.79 |
0.66 |
0.99 |
0.73 |
0.97 |
3.42 |
| POF3 | Phosphorus oxyfluoride | 12.77 |
-1.14 |
0.28 |
-0.21 |
-0.72 |
-0.04 |
1.99 |
0.40 |
| H2S | Hydrogen sulfide (H2S) | 10.43 |
-1.06 |
-0.99 |
-0.63 |
-0.80 |
-0.94 |
-1.30 |
-0.43 |
| CS | Carbon sulfide | 11.30 |
-0.59 |
-0.70 |
-0.33 |
-0.70 |
-0.88 |
-0.48 |
-0.21 |
| CH2S | Thioformaldehyde | 9.34 |
-0.57 |
-0.45 |
-0.32 |
-0.28 |
-0.67 |
-0.53 |
0.12 |
| CH4S | Thiomethanol | 9.44 |
-0.58 |
-0.52 |
-0.15 |
-0.23 |
-0.51 |
-0.50 |
0.33 |
| C2H2S | Thioketene, H2CCS | 8.89 |
-0.11 |
0.05 |
-0.22 |
-0.08 |
-0.50 |
-0.61 |
-0.09 |
| C2H4S | Thiirane | 8.87 |
0.06 |
0.15 |
0.37 |
0.36 |
0.00 |
0.04 |
0.79 |
| C2H6S | Dimethyl thioether | 8.65 |
-0.23 |
-0.19 |
0.21 |
0.23 |
-0.17 |
0.13 |
0.93 |
| C2H6S | Thioethanol | 9.21 |
-0.37 |
-0.31 |
0.05 |
-0.02 |
-0.30 |
-0.30 |
0.52 |
| C3H6S | Thietane | 8.65 |
-0.06 |
0.02 |
0.27 |
0.30 |
-0.06 |
0.11 |
0.88 |
| C3H8S | 1-Propanthiol | 9.19 |
-0.34 |
-0.27 |
0.08 |
0.00 |
-0.29 |
-0.29 |
0.54 |
| C3H8S | Isopropanthiol | 9.14 |
-0.32 |
-0.24 |
0.13 |
0.09 |
-0.23 |
-0.26 |
0.57 |
| C4H4S | Thiophene | 8.95 |
0.09 |
0.10 |
0.17 |
0.59 |
0.27 |
-0.04 |
0.55 |
| C4H8S | Tetrahydrothiophene | 8.60 |
-0.21 |
-0.14 |
0.18 |
0.19 |
-0.22 |
0.08 |
0.85 |
| C4H10S | Butanethiol | 9.15 |
-0.31 |
-0.24 |
0.12 |
0.04 |
-0.25 |
-0.25 |
0.58 |
| C6H6S | Thiophenol | 8.47 |
0.21 |
0.24 |
0.24 |
0.31 |
-0.04 |
-0.13 |
0.36 |
| NS | Sulfur nitride | 8.87 |
0.09 |
1.72 |
0.28 |
0.69 |
0.13 |
-0.09 |
0.64 |
| CNHS | Hydrogen isothiocyanate | 9.94 |
-0.72 |
-0.62 |
-0.62 |
-0.56 |
-0.47 |
-0.74 |
-0.23 |
| C2NH3S | Methyl isothiocyanate | 9.37 |
-0.49 |
-0.37 |
-0.27 |
-0.20 |
-0.22 |
-0.34 |
0.09 |
| C2NH3S | Methyl thiocyanate | 9.96 |
-0.59 |
-0.49 |
-0.34 |
-0.30 |
-0.75 |
-0.66 |
0.30 |
| CSO | Carbon oxysulfide | 11.20 |
-1.01 |
-0.81 |
-0.73 |
-0.49 |
-0.43 |
-1.19 |
-0.69 |
| C2H4SO | Thiolacetic acid | 9.70 |
-0.02 |
0.16 |
0.43 |
0.35 |
0.32 |
-0.04 |
0.83 |
| C2H6SO | Dimethyl sulfoxide | 9.01 |
-0.39 |
-0.65 |
0.08 |
0.35 |
0.52 |
0.14 |
0.79 |
| SO2 | Sulfur dioxide | 12.30 |
-2.22 |
-2.50 |
-2.02 |
-1.75 |
-1.81 |
-1.63 |
-0.44 |
| SO3 | Sulfur trioxide | 11.00 |
1.21 |
1.23 |
2.91 |
1.91 |
3.26 |
2.84 |
2.16 |
| SF | Sulfur fluoride | 10.00 |
-0.52 |
-0.22 |
-0.05 |
0.20 |
-0.37 |
-0.49 |
0.38 |
| SF2 | Sulfur difluoride | 10.20 |
-0.87 |
-0.68 |
-0.43 |
-0.38 |
-1.21 |
-0.69 |
0.54 |
| CSF2 | Thiocarbonyl difluoride | 10.46 |
-0.43 |
-0.33 |
-0.13 |
-0.09 |
-0.46 |
-0.57 |
0.15 |
| SOF2 | Thionyl fluoride | 12.58 |
-2.14 |
-2.29 |
-1.84 |
-1.55 |
-1.79 |
-1.57 |
-0.13 |
| SO2F2 | Sulfuryl fluoride | 13.04 |
-0.26 |
-0.08 |
1.08 |
0.06 |
1.38 |
1.40 |
0.71 |
| SF4 | Sulfur tetrafluoride | 12.05 |
-1.71 |
-1.67 |
-2.04 |
-1.95 |
-1.81 |
-1.44 |
0.94 |
| SF6 | Sulfur hexafluoride | 15.70 |
0.04 |
0.12 |
2.25 |
0.69 |
0.46 |
2.15 |
0.68 |
| PS | Phosphorus sulfide | 9.00 |
-0.77 |
0.77 |
-0.09 |
-0.62 |
0.14 |
-0.91 |
0.04 |
| H2S2 | Hydrogen disulfide | 10.01 |
-0.62 |
-0.47 |
-0.28 |
-0.12 |
-0.41 |
-0.55 |
0.22 |
| CS2 | Carbon disulfide | 10.08 |
-0.98 |
-0.72 |
-0.80 |
-0.25 |
-0.70 |
-1.24 |
-0.42 |
| C2H6S2 | 2,3-Dithiabutane | 8.71 |
0.08 |
0.17 |
0.71 |
0.66 |
0.38 |
0.43 |
1.08 |
| C2H6S2 | Ethanedithiol-1,2 | 9.30 |
-0.27 |
-0.17 |
0.14 |
0.02 |
-0.29 |
-0.26 |
0.54 |
| C2N2S2 | S2(CN)2 | 11.05 |
-0.78 |
-0.64 |
-0.27 |
-0.48 |
-0.70 |
-0.88 |
0.18 |
| S2F2 | FSSF | 10.68 |
-1.03 |
-0.75 |
-0.20 |
-0.19 |
-0.76 |
-0.47 |
0.49 |
| C3H4S3 | 1,3-Dithiolan-2-thione | 8.40 |
0.34 |
0.45 |
0.50 |
0.85 |
0.44 |
0.25 |
1.05 |
| S8 | S8 | 9.04 |
-0.15 |
-0.07 |
0.91 |
0.04 |
0.26 |
0.45 |
1.51 |
| HCl | Hydrogen chloride | 12.75 |
-1.02 |
-1.16 |
-0.72 |
-1.69 |
-0.42 |
-1.41 |
0.25 |
| LiCl | Lithium chloride | 9.57 |
0.26 |
0.36 |
- |
0.11 |
0.35 |
1.85 |
1.41 |
| CH3Cl | Methyl chloride | 11.30 |
-0.35 |
-0.60 |
-0.22 |
-0.82 |
0.04 |
-0.38 |
0.94 |
| C7H5ClO | Benzoyl chloride | 9.90 |
0.68 |
0.54 |
0.27 |
0.39 |
0.34 |
0.11 |
0.12 |
| NClO | Nitrosyl chloride | 10.90 |
0.12 |
-0.30 |
0.49 |
-0.31 |
0.65 |
0.53 |
1.06 |
| NClO2 | Nitryl chloride | 11.40 |
0.47 |
0.58 |
1.01 |
1.02 |
1.54 |
0.91 |
1.61 |
| ClF | Chlorine fluoride | 12.02 |
-0.29 |
-0.52 |
-0.18 |
-0.89 |
0.37 |
-0.53 |
1.35 |
| BeClF | Beryllium chloride fluoride | 13.00 |
-1.18 |
-1.07 |
- |
-1.56 |
-0.43 |
-1.23 |
0.06 |
| CH2ClF | Fluorochloromethane | 11.74 |
-0.43 |
-0.61 |
-0.37 |
-0.89 |
-0.16 |
-0.45 |
0.80 |
| CHClF2 | Difluorochloromethane | 12.60 |
-0.76 |
-0.89 |
-0.65 |
-1.24 |
-0.31 |
-0.76 |
0.63 |
| CClF3 | Trifluorochloromethane | 10.30 |
2.13 |
2.03 |
2.46 |
1.58 |
2.94 |
2.14 |
3.83 |
| SClO2F | SO2ClF | 12.61 |
-0.18 |
-0.18 |
0.68 |
-0.17 |
0.85 |
0.98 |
0.86 |
| Li2Cl2 | Lithium chloride, dimer | 10.20 |
0.31 |
0.54 |
- |
-0.42 |
0.20 |
1.92 |
1.24 |
| BeCl2 | Beryllium dichloride | 12.50 |
-0.60 |
-0.91 |
- |
-0.97 |
-0.14 |
-1.19 |
0.38 |
| CH2Cl2 | Dichloromethane | 11.30 |
-0.08 |
-0.38 |
0.04 |
-0.72 |
0.09 |
-0.18 |
1.19 |
| CCl2O | Carbonyl chloride | 11.84 |
0.10 |
-0.09 |
0.11 |
-0.61 |
0.53 |
-0.02 |
0.86 |
| CHCl2F | Fluorodichloromethane | 12.00 |
-0.27 |
-0.63 |
-0.36 |
-1.01 |
0.03 |
-0.36 |
0.96 |
| CCl2F2 | Difluorodichloromethane | 12.30 |
-0.21 |
-0.56 |
-0.23 |
-0.97 |
0.21 |
-0.26 |
1.06 |
| MgCl2 | Magnesium dichloride | 10.50 |
0.87 |
0.81 |
- |
0.47 |
1.10 |
1.17 |
1.63 |
| SiH2Cl2 | Dichlorosilane | 11.70 |
0.06 |
-0.67 |
- |
-1.43 |
-0.14 |
0.46 |
0.82 |
| SiC2H6Cl2 | Dichlorodimethylsilane | 10.79 |
0.39 |
-0.25 |
- |
-0.52 |
0.70 |
0.73 |
1.42 |
| SCl2 | Sulfur dichloride | 9.70 |
0.04 |
-0.11 |
0.40 |
-0.10 |
-0.35 |
-0.19 |
1.00 |
| SCl2O | Thionyl chloride | 11.10 |
-0.49 |
-0.70 |
0.26 |
-0.45 |
0.10 |
-0.24 |
1.25 |
| SCl2O2 | Sulfuryl chloride | 12.40 |
0.05 |
-0.03 |
0.81 |
-0.08 |
1.04 |
0.99 |
1.09 |
| S2Cl2 | ClSSCl | 9.40 |
0.52 |
0.44 |
1.15 |
0.56 |
0.58 |
0.57 |
1.66 |
| BCl3 | Boron trichloride | 11.62 |
0.20 |
-0.11 |
- |
-1.23 |
- |
-0.31 |
1.48 |
| CCl3 | Trichloromethyl | 8.28 |
1.25 |
0.89 |
1.27 |
0.59 |
1.23 |
0.86 |
2.05 |
| CHCl3 | Chloroform | 11.48 |
0.14 |
-0.19 |
0.07 |
-0.64 |
0.29 |
-0.02 |
1.43 |
| B3N3H3Cl3 | B3N3Cl3H3 | 10.55 |
0.06 |
0.16 |
- |
-0.88 |
- |
0.27 |
1.04 |
| CCl3F | Fluorotrichloromethane | 11.90 |
0.15 |
-0.29 |
0.03 |
-0.74 |
0.55 |
0.00 |
1.39 |
| AlCl3 | Aluminum trichloride | 12.01 |
-0.99 |
-0.53 |
- |
-0.61 |
0.48 |
-0.42 |
1.07 |
| PCl3 | Phosphorus trichloride | 10.50 |
-0.25 |
0.05 |
0.06 |
-0.08 |
0.13 |
-0.45 |
1.67 |
| PCl3O | Phosphorus oxychloride | 11.85 |
-1.02 |
0.33 |
1.36 |
0.44 |
1.27 |
0.75 |
0.93 |
| LiAlCl4 | LiAlCl4 | 10.50 |
0.38 |
0.77 |
- |
0.25 |
1.03 |
-0.31 |
1.78 |
| SiCl4 | Silicon tetrachloride | 11.79 |
0.20 |
-0.22 |
- |
-0.56 |
1.19 |
0.21 |
2.03 |
| PCl5 | Phosphorus pentachloride | 10.80 |
-0.14 |
0.75 |
1.67 |
1.06 |
1.90 |
1.25 |
1.49 |
| C2Cl6 | Hexachloroethane | 11.20 |
0.67 |
0.19 |
0.35 |
-0.36 |
0.98 |
0.38 |
1.88 |
| KBO2 | KBO2 | 8.62 |
0.89 |
0.61 |
- |
0.29 |
- |
- |
-0.17 |
| KCl | Potassium chloride | 8.44 |
0.82 |
-0.08 |
- |
0.03 |
0.36 |
- |
0.25 |
| ZnC2H6 | Dimethyl zinc | 9.40 |
-0.69 |
0.12 |
- |
0.88 |
0.34 |
0.67 |
1.14 |
| ZnC4H10 | Diethyl zinc | 8.60 |
-0.33 |
0.36 |
- |
0.85 |
0.55 |
1.17 |
1.60 |
| ZnCl2 | Zinc dichloride | 11.87 |
-0.58 |
-0.48 |
- |
-0.93 |
0.33 |
-0.71 |
0.93 |
| GeH4 | Germane | 11.31 |
0.69 |
0.86 |
- |
1.02 |
0.19 |
- |
0.77 |
| GeC4H12 | Tetramethylgermanium | 9.29 |
0.94 |
0.90 |
- |
1.54 |
1.68 |
- |
2.07 |
| GeC7H18 | t-Butyltrimethylgermane | 8.98 |
0.11 |
0.12 |
- |
0.80 |
0.82 |
- |
1.66 |
| GeC8H20 | Tetraethylgermanium | 9.30 |
0.21 |
0.26 |
- |
0.82 |
0.98 |
- |
1.67 |
| GeO | Germanium oxide | 11.25 |
-2.55 |
-2.14 |
- |
-1.57 |
-1.85 |
- |
-1.99 |
| GeF4 | Germanium tetrafluoride | 16.06 |
-2.63 |
-1.57 |
- |
-0.51 |
-1.48 |
- |
-0.68 |
| GeC3H9Cl | Trimethylchlorogermane | 10.50 |
-0.26 |
-0.22 |
- |
-0.20 |
0.66 |
- |
1.27 |
| GeCl4 | Germanium tetrachloride | 11.88 |
-0.24 |
0.14 |
- |
-0.57 |
1.15 |
- |
1.90 |
| Ge2C6H18 | Hexamethyl digermane | 8.18 |
0.70 |
0.30 |
- |
1.42 |
1.75 |
- |
1.40 |
| Ge3NH9 | Trigermylamine | 9.20 |
-0.95 |
-1.25 |
- |
-0.39 |
-0.12 |
- |
0.63 |
| AsH3 | Arsine | 10.58 |
-1.04 |
-1.02 |
- |
-0.67 |
-0.05 |
- |
1.26 |
| C3AsH9 | Trimethylarsine | 8.65 |
-0.22 |
-0.04 |
- |
0.63 |
0.63 |
- |
1.63 |
| AsF3 | Arsenic trifluoride | 12.30 |
-1.27 |
-1.47 |
- |
-1.03 |
-1.81 |
- |
-1.00 |
| AsCl3 | Arsenic trichloride | 10.55 |
0.25 |
0.07 |
- |
0.14 |
0.59 |
- |
1.23 |
| As4O6 | Arsenic trioxide dimer | 10.01 |
-0.25 |
-0.83 |
- |
-0.61 |
-0.84 |
- |
-0.25 |
| H2Se | Hydrogen selenide | 9.88 |
-1.59 |
-1.12 |
- |
-0.12 |
-2.11 |
- |
-1.07 |
| C2H6Se | Dimethylselenium | 8.40 |
-0.52 |
-0.20 |
- |
0.61 |
-0.91 |
- |
0.34 |
| C4H4Se | Selenophene | 8.78 |
-0.45 |
0.03 |
- |
0.72 |
-0.97 |
- |
-0.19 |
| C4H8Se | Tetrahydroselenophene | 8.14 |
-0.31 |
-0.01 |
- |
0.77 |
-0.66 |
- |
0.51 |
| SeCl2 | Selenium dichloride | 9.50 |
-0.62 |
-0.30 |
- |
0.05 |
-1.66 |
- |
-0.37 |
| CSe2 | Carbon diselenide | 9.25 |
-1.38 |
-0.47 |
- |
0.50 |
-1.71 |
- |
-0.53 |
| Se2Cl2 | ClSeSeCl | 9.81 |
-1.04 |
-0.62 |
- |
-0.27 |
-1.60 |
- |
-0.42 |
| HBr | Hydrogen bromide | 11.71 |
-1.06 |
-0.57 |
- |
0.42 |
-0.25 |
-1.13 |
0.39 |
| LiBr | Lithium bromide | 9.43 |
-0.46 |
-0.23 |
- |
3.15 |
-0.46 |
1.12 |
0.40 |
| CH3Br | Bromomethane | 10.53 |
-0.32 |
0.08 |
- |
0.48 |
0.27 |
-0.23 |
1.03 |
| C2H3Br | Bromoethylene | 9.90 |
0.06 |
0.32 |
- |
0.54 |
0.25 |
-0.21 |
0.35 |
| C2H5Br | Bromoethane | 10.28 |
-0.16 |
0.19 |
- |
0.63 |
0.41 |
-0.04 |
1.20 |
| C3H7Br | 1-Bromopropane | 10.18 |
-0.06 |
0.30 |
- |
0.75 |
0.51 |
0.05 |
1.29 |
| C6H5Br | Bromobenzene | 9.25 |
0.35 |
0.40 |
- |
0.55 |
0.35 |
0.04 |
0.30 |
| C2H3BrO | Acetyl bromide | 10.55 |
0.01 |
0.33 |
- |
0.64 |
0.63 |
0.11 |
0.88 |
| CBrF3 | Bromotrifluoromethane | 12.10 |
-0.61 |
-0.10 |
- |
0.13 |
0.23 |
-0.54 |
1.15 |
| NaBr | Sodium bromide | 8.31 |
0.85 |
0.09 |
- |
2.29 |
0.46 |
0.79 |
1.10 |
| KBr | Potassium bromide | 7.85 |
0.97 |
0.05 |
- |
1.74 |
0.33 |
- |
0.20 |
| GeC3H9Br | Trimethylbromogermane | 10.00 |
-0.25 |
0.03 |
- |
1.01 |
0.68 |
- |
1.15 |
| Br2 | Bromine | 10.70 |
-0.20 |
0.01 |
- |
0.54 |
0.24 |
-0.37 |
0.96 |
| Li2Br2 | Lithium bromide, dimer | 10.05 |
-0.69 |
-0.50 |
- |
2.78 |
-0.52 |
0.98 |
0.52 |
| CH2Br2 | Dibromomethane | 10.50 |
-0.14 |
0.10 |
- |
0.09 |
0.46 |
-0.03 |
1.20 |
| CBr2F2 | Difluorodibromomethane | 11.18 |
-0.18 |
-0.07 |
- |
-0.01 |
0.13 |
-0.08 |
1.10 |
| C2Br2F4 | 1,2-Dibromotetrafluoroethane | 11.44 |
-0.15 |
0.08 |
- |
-0.33 |
0.05 |
-0.03 |
1.33 |
| ZnBr2 | Zinc dibromide | 10.89 |
-0.58 |
0.18 |
- |
1.72 |
0.47 |
-0.41 |
0.87 |
| SeBr2 | Selenium dibromide | 9.17 |
-0.41 |
-0.25 |
- |
0.88 |
-0.78 |
- |
0.13 |
| CHBr3 | Bromoform | 10.50 |
0.07 |
0.25 |
- |
0.34 |
0.57 |
0.11 |
1.36 |
| PBr3 | Phosphorus tribromide | 10.00 |
-0.30 |
-0.20 |
- |
0.85 |
0.60 |
0.02 |
1.44 |
| GaBr3 | Gallium tribromide | 10.94 |
-0.02 |
0.32 |
- |
2.49 |
0.69 |
- |
1.06 |
| RbCl | Rubidium chloride | 8.50 |
0.34 |
0.07 |
- |
-0.07 |
0.31 |
- |
0.84 |
| RbBr | Rubidium bromide | 7.94 |
0.14 |
0.12 |
- |
1.64 |
0.13 |
- |
0.47 |
| CdC2H6 | Dimethyl cadmium | 8.80 |
1.60 |
-0.20 |
- |
-0.05 |
- |
0.86 |
0.21 |
| CdC4H10 | Diethyl cadmium | 8.20 |
1.14 |
-0.12 |
- |
0.24 |
- |
1.19 |
0.75 |
| CdF2 | Cadmium difluoride | 13.18 |
0.77 |
-0.98 |
- |
-0.33 |
- |
-0.09 |
0.06 |
| CdCl2 | Cadmium dichloride | 11.30 |
0.20 |
-0.23 |
- |
0.00 |
- |
-0.29 |
1.54 |
| CdBr2 | Cadmium dibromide | 10.58 |
-0.02 |
-0.10 |
- |
1.31 |
- |
-0.19 |
0.31 |
| InCl | Indium chloride | 9.71 |
-0.21 |
0.18 |
- |
0.23 |
0.49 |
- |
0.73 |
| InBr3 | Indium tribromide | 10.30 |
0.44 |
1.09 |
- |
3.90 |
1.18 |
- |
1.63 |
| SnH4 | Tin tetrahydride (stannane) | 9.20 |
2.19 |
2.11 |
- |
3.67 |
1.45 |
- |
3.54 |
| SnC4H12 | Tetramethyltin | 8.90 |
1.64 |
1.33 |
- |
1.81 |
0.57 |
- |
2.01 |
| SnC8H20 | Tetraethyltin | 8.90 |
0.89 |
0.52 |
- |
1.00 |
0.13 |
- |
1.58 |
| SnF2 | Tin difluoride | 8.00 |
3.28 |
1.67 |
- |
2.26 |
0.69 |
- |
4.61 |
| SnS | Tin sulfide | 9.40 |
-0.45 |
-0.30 |
- |
0.25 |
0.16 |
- |
0.63 |
| SnC3H9Cl | Trimethyltin chloride | 9.88 |
0.60 |
0.61 |
- |
0.66 |
0.09 |
- |
1.21 |
| SnCl2 | Tin dichloride | 10.10 |
0.48 |
-0.55 |
- |
0.19 |
-0.71 |
- |
1.62 |
| SnCl4 | Tin tetrachloride | 11.90 |
0.06 |
0.35 |
- |
-0.18 |
0.50 |
- |
1.50 |
| SnGeC6H18 | GeMe3-SnMe3 | 8.20 |
0.99 |
0.50 |
- |
1.44 |
0.42 |
- |
1.66 |
| SnSe | Tin selenide | 9.00 |
-0.31 |
0.07 |
- |
0.43 |
-0.10 |
- |
0.48 |
| SnC3H9Br | Trimethyltin bromide | 9.60 |
0.19 |
0.54 |
- |
1.75 |
0.16 |
- |
1.19 |
| SnBr2 | Tin dibromide | 9.80 |
0.06 |
-0.65 |
- |
1.40 |
-0.53 |
- |
1.19 |
| SnBr4 | Tin tetrabromide | 11.00 |
-0.02 |
0.50 |
- |
2.02 |
0.46 |
- |
1.30 |
| SbH3 | Stibine | 9.51 |
0.64 |
-0.47 |
- |
1.19 |
-0.14 |
- |
0.82 |
| C3SbH9 | Trimethylstibine | 8.48 |
0.49 |
0.20 |
- |
1.41 |
0.24 |
- |
1.33 |
| C18SbH15 | Triphenylstibine | 8.08 |
0.95 |
0.71 |
- |
1.47 |
0.51 |
- |
1.06 |
| SbF3 | Antimony trifluoride | 12.61 |
-0.28 |
-0.81 |
- |
1.32 |
-1.33 |
- |
-1.41 |
| SbCl3 | Antimony trichloride | 10.70 |
0.42 |
-0.04 |
- |
0.45 |
0.48 |
- |
1.23 |
| TeSe | Selenium telluride | 8.80 |
-0.90 |
-0.73 |
- |
0.38 |
-1.66 |
- |
0.36 |
| SnTe | Tin telluride | 8.61 |
-0.54 |
-0.09 |
- |
-0.06 |
0.16 |
- |
0.96 |
| HI | Hydrogen iodide | 10.39 |
-0.84 |
-0.20 |
-0.45 |
-0.42 |
0.52 |
-0.83 |
0.82 |
| LiI | Lithium iodide | 8.44 |
0.39 |
-0.35 |
- |
0.38 |
-0.51 |
1.84 |
0.19 |
| CH3I | Methyl iodide | 9.50 |
-0.48 |
0.38 |
0.00 |
-0.03 |
1.01 |
-0.12 |
1.35 |
| C2H5I | Iodoethane | 9.34 |
-0.37 |
0.38 |
0.11 |
0.10 |
1.09 |
0.00 |
1.48 |
| C3H7I | 1-Iodopropane | 9.27 |
-0.30 |
0.47 |
0.19 |
0.18 |
1.16 |
0.06 |
1.53 |
| C3H7I | 2-Iodopropane | 9.40 |
-0.48 |
0.17 |
0.01 |
0.03 |
1.00 |
-0.10 |
1.39 |
| C4H9I | 1-Butyl iodide | 9.20 |
-0.24 |
0.54 |
0.26 |
0.25 |
1.23 |
0.13 |
1.60 |
| C6H5I | Iodobenzene | 8.70 |
0.17 |
0.71 |
0.35 |
0.34 |
0.95 |
0.20 |
0.85 |
| C6H11I | Iodocyclohexane | 8.91 |
0.00 |
0.68 |
0.50 |
0.51 |
1.47 |
0.37 |
1.86 |
| C7H7I | Benzyl iodide | 8.91 |
0.05 |
0.40 |
0.34 |
0.44 |
0.60 |
0.29 |
0.55 |
| CIF3 | Trifluoroiodomethane | 10.45 |
-0.54 |
0.56 |
0.23 |
-0.17 |
1.52 |
-0.05 |
2.03 |
| NaI | Sodium iodide | 7.64 |
0.96 |
-0.21 |
- |
0.17 |
0.31 |
0.86 |
0.71 |
| ICl | Iodine chloride | 10.10 |
-0.57 |
0.16 |
0.06 |
-0.36 |
1.02 |
-0.40 |
1.48 |
| GaI | Gallium iodide | 9.00 |
-0.10 |
0.49 |
- |
-0.16 |
1.51 |
- |
0.84 |
| IBr | Iodine bromide | 9.85 |
-0.42 |
0.33 |
- |
-0.01 |
0.99 |
-0.10 |
1.43 |
| RbI | Rubidium iodide | 7.30 |
1.17 |
-0.36 |
- |
-1.09 |
-0.21 |
- |
0.20 |
| Li2I2 | Lithium iodide, dimer | 9.23 |
-0.16 |
-0.90 |
- |
-0.29 |
-0.56 |
0.03 |
0.38 |
| CH2I2 | Diiodomethane | 9.46 |
-0.31 |
0.29 |
-0.14 |
-0.48 |
1.11 |
-0.02 |
1.41 |
| C2I2 | Diiodoacetylene | 9.03 |
-0.23 |
0.83 |
0.09 |
-0.39 |
1.47 |
-0.05 |
1.54 |
| MgI2 | Magnesium diiodide | 9.57 |
0.03 |
0.21 |
- |
0.70 |
0.56 |
0.57 |
0.50 |
| CaI2 | Calcium diiodide | 10.10 |
-0.52 |
-0.73 |
- |
-0.52 |
-0.41 |
- |
-0.16 |
| ZnI2 | Zinc diiodide | 9.73 |
-0.19 |
0.43 |
- |
0.52 |
0.76 |
-0.28 |
0.89 |
| SrI2 | Strontium diiodide | 10.00 |
-0.75 |
-0.63 |
- |
0.14 |
-0.26 |
- |
0.00 |
| GaI3 | Gallium triiodide | 9.51 |
0.34 |
0.73 |
- |
1.19 |
1.28 |
- |
1.43 |
| GeI4 | Germanium tetraiodide | 9.42 |
0.48 |
0.86 |
- |
0.85 |
1.91 |
- |
1.84 |
| CsF | Cesium fluoride | 9.70 |
0.35 |
-0.52 |
- |
1.34 |
-2.96 |
- |
-1.97 |
| CsCl | Cesium chloride | 7.84 |
1.06 |
0.73 |
- |
-0.85 |
-0.12 |
- |
0.74 |
| CsBr | Cesium bromide | 8.00 |
0.31 |
0.31 |
- |
0.54 |
-0.71 |
- |
-0.42 |
| CsI | Cesium iodide | 7.20 |
0.69 |
0.76 |
- |
-1.82 |
-0.65 |
- |
-0.71 |
| BaCl2 | Barium dichloride | 10.00 |
0.42 |
0.08 |
- |
0.08 |
0.75 |
- |
1.28 |
| HgC2H6 | Dimethylmercury | 9.33 |
0.80 |
-0.14 |
- |
0.15 |
0.03 |
-0.02 |
0.83 |
| HgC4H10 | Diethylmercury | 8.45 |
1.04 |
-0.06 |
- |
0.30 |
0.32 |
0.55 |
1.36 |
| HgC6H14 | Di-n-propylmercury | 8.29 |
1.25 |
0.24 |
- |
0.59 |
0.59 |
0.72 |
1.52 |
| HgC12H10 | Diphenylmercury | 8.30 |
1.46 |
1.03 |
- |
1.18 |
1.14 |
0.92 |
0.87 |
| HgCH3Cl | Methylmercuric chloride | 10.88 |
0.15 |
-0.49 |
- |
-0.52 |
0.00 |
-0.12 |
0.79 |
| HgC2H5Cl | Ethylmercuric chloride | 10.22 |
0.55 |
-0.60 |
- |
-0.53 |
-0.06 |
0.16 |
0.92 |
| HgC3H7Cl | n-Propylmercuric chloride | 10.15 |
0.65 |
-0.43 |
- |
-0.32 |
0.12 |
0.23 |
0.97 |
| HgCl2 | Mercury dichloride | 11.37 |
0.13 |
-0.07 |
- |
-0.60 |
0.56 |
-0.31 |
1.23 |
| HgCH3Br | Methylmercuric bromide | 9.25 |
0.94 |
0.71 |
- |
1.45 |
1.34 |
1.06 |
1.83 |
| HgBr2 | Mercury dibromide | 10.62 |
-0.10 |
-0.10 |
- |
2.27 |
0.54 |
-0.20 |
1.03 |
| HgI2 | Mercury diiodide | 9.50 |
0.06 |
0.39 |
- |
0.72 |
0.88 |
0.00 |
1.13 |
| Hg2 | Mercury, dimer | 9.40 |
1.13 |
1.86 |
- |
0.21 |
-0.24 |
1.11 |
-0.38 |
| TlF | Thallium fluoride | 10.80 |
0.98 |
0.45 |
- |
-0.95 |
-1.19 |
- |
-0.21 |
| TlCl | Thallium chloride | 9.89 |
0.89 |
0.05 |
- |
0.38 |
0.25 |
- |
0.94 |
| TlI | Thallium iodide | 8.47 |
0.31 |
0.40 |
- |
1.22 |
0.14 |
- |
0.45 |
| LiPb | Lithium plumbide | 6.40 |
0.63 |
-0.17 |
- |
0.76 |
0.57 |
- |
-0.26 |
| PbC4H12 | Tetramethyllead | 8.90 |
1.51 |
0.65 |
- |
1.36 |
0.73 |
- |
1.38 |
| PbC7H18 | t-Butyltrimethyllead | 7.99 |
1.21 |
0.29 |
- |
1.25 |
0.80 |
- |
1.61 |
| PbC8H20 | Tetraethyllead | 8.13 |
1.51 |
0.77 |
- |
1.37 |
0.95 |
- |
1.74 |
| PbC10H10 | Bicyclopentadienyllead (plumbocene) | 7.53 |
1.17 |
0.67 |
- |
1.11 |
0.87 |
- |
1.22 |
| PbO | Lead oxide | 9.08 |
0.75 |
0.45 |
- |
-0.01 |
0.32 |
- |
1.39 |
| PbO2 | Lead dioxide | 8.87 |
2.07 |
1.65 |
- |
1.68 |
0.62 |
- |
2.19 |
| PbF2 | Lead difluoride | 11.84 |
0.17 |
-0.74 |
- |
-1.57 |
-1.36 |
- |
0.85 |
| PbCl2 | Lead dichloride | 10.34 |
0.29 |
0.07 |
- |
-0.40 |
0.20 |
- |
1.56 |
| PbBr2 | Lead dibromide | 9.85 |
0.21 |
-0.19 |
- |
0.90 |
0.13 |
- |
1.19 |
| PbTe | Lead telluride | 8.04 |
-1.31 |
0.47 |
- |
0.31 |
0.28 |
- |
1.39 |
| PbI2 | Lead diiodide | 8.90 |
0.31 |
-0.04 |
- |
0.46 |
0.61 |
- |
1.13 |
| Pb2C6H18 | Hexamethyldiplumbane | 7.41 |
0.49 |
0.70 |
- |
1.60 |
1.03 |
- |
1.74 |
| LiBi | Lithium bismuthide | 6.00 |
-0.50 |
-2.66 |
- |
1.16 |
0.06 |
- |
0.23 |
| BiC5H5 | C5H5Bi (Bismin) | 7.90 |
0.14 |
0.10 |
- |
0.04 |
-0.35 |
- |
0.18 |
| BiC18H15 | Triphenylbismuth | 7.45 |
1.53 |
1.39 |
- |
1.72 |
0.68 |
- |
0.74 |
| BiF3 | Bismuth trifluoride | 12.00 |
-0.69 |
0.08 |
- |
0.15 |
-2.46 |
- |
-0.05 |