(Home - PM7 - Accuracy - Manual)
Empirical | Chemical Name | Expt. | PM7 |
PM6 |
|
H2 | Hydrogen | 15.40 | -0.37 | -0.36 | a |
Be | Beryllium, atom | 9.20 | -1.24 | -0.39 | a |
B4H10 | Tetraborane(10) | 11.50 | -0.46 | -0.31 | c |
B5H9 | Pentaborane(9) | 10.52 | -0.07 | -0.63 | c |
B5H11 | Pentaborane(11) | 10.70 | -0.16 | -0.28 | a |
B6H10 | Hexaborane(10) | 9.40 | 0.44 | 0.01 | a |
B10H14 | Decaborane(14) | 9.88 | 0.67 | 0.34 | a |
CH4 | Methane | 13.60 | 0.13 | 0.08 | d |
C2H2 | Acetylene | 11.40 | 0.22 | 0.19 | a |
C2H4 | Ethylene | 10.51 | 0.24 | 0.16 | a |
C2H6 | Ethane | 12.00 | -0.03 | -0.08 | a |
BeC2H6 | Dimethylberyllium | 10.67 | 0.81 | 0.26 | e |
C3 | Carbon, trimer | 11.10 | -0.17 | -0.39 | a |
C3H4 | Allene | 10.07 | 0.33 | 0.30 | a |
C3H4 | Cyclopropene | 9.86 | 0.31 | 0.22 | f |
C3H4 | Propyne | 10.37 | 0.39 | 0.36 | d |
C3H6 | Cyclopropane | 11.00 | 0.59 | 0.41 | d |
C3H6 | Propene | 9.88 | 0.24 | 0.16 | g |
C3H8 | Propane | 11.50 | -0.11 | -0.16 | h |
C4H2 | Diacetylene | 10.17 | 0.36 | 0.41 | a |
C4H4 | CH2=C=C=CH2 | 9.10 | 0.55 | 0.52 | a |
C4H6 | 1,2-Butadiene | 9.15 | 0.64 | 0.57 | a |
C4H6 | 1,3-Butadiene | 9.08 | 0.53 | 0.50 | d |
C4H6 | 1-Butyne | 10.20 | 0.43 | 0.42 | a |
C4H6 | 2-Butyne | 9.60 | 0.45 | 0.42 | a |
C4H6 | Cyclobutene | 9.43 | 0.50 | 0.38 | a |
C4H8 | 1-Butene | 9.70 | 0.33 | 0.27 | a |
C4H8 | Cyclobutane | 10.70 | 0.37 | 0.32 | a |
C4H10 | Isobutane | 11.40 | -0.12 | -0.19 | h |
C4H10 | n-Butane, trans | 11.20 | -0.03 | -0.06 | a |
BeC4H10 | Diethylberyllium | 9.46 | 0.88 | 0.60 | e |
C5H6 | Cyclopentadiene | 8.57 | 0.74 | 0.63 | a |
C5H8 | Cyclopentene | 9.18 | 0.32 | 0.25 | a |
C5H10 | Cyclopentane | 10.50 | 0.52 | 0.51 | a |
C5H12 | n-Pentane | 10.30 | 0.78 | 0.75 | a |
C5H12 | Neopentane | 11.30 | 0.08 | 0.04 | h |
BeC5H6 | Cyclopentadienylberyllium hydride | 9.64 | 0.25 | -0.06 | i |
C6H6 | Benzene | 9.25 | 0.57 | 0.39 | a |
C6H10 | Cyclohexene | 10.30 | -0.81 | -0.90 | a |
C6H12 | Cyclohexane | 10.30 | 0.51 | 0.48 | a |
C7H8 | Cycloheptatriene | 8.50 | 0.51 | 0.39 | a |
C7H8 | Toluene | 8.82 | 0.61 | 0.42 | d |
C8H10 | Ethylbenzene | 8.80 | 0.65 | 0.47 | a |
C8H14 | Bicyclo(2.2.2)-octane | 9.45 | 0.93 | 0.89 | a |
C10H8 | Naphthalene | 8.15 | 0.80 | 0.73 | a |
C10H16 | Adamantane | 9.60 | 0.60 | 0.57 | a |
C14H10 | Anthracene | 8.16 | 0.23 | 0.21 | a |
NH3 | Ammonia | 10.85 | -0.70 | -0.75 | d |
CNH | Hydrogen cyanide | 13.60 | 0.20 | -0.47 | d |
CNH5 | Methylamine | 9.60 | -0.12 | -0.19 | a |
C2NH3 | Acetonitrile | 12.21 | 0.56 | 0.56 | a |
C2NH3 | Methyl isocyanide | 11.32 | 0.28 | 0.17 | a |
C2NH5 | Ethyleneimine (Azirane) | 9.90 | 0.27 | 0.07 | a |
C2NH7 | Dimethylamine | 8.93 | 0.15 | 0.03 | j |
C2NH7 | Ethylamine | 9.50 | 0.02 | -0.04 | a |
C3NH | CH.C.CN | 11.75 | 0.20 | 0.24 | a |
C3NH3 | Acrylonitrile | 10.91 | 0.37 | 0.34 | a |
C3NH5 | Ethyl cyanide | 11.90 | 0.38 | 0.40 | a |
C3NH9 | Trimethylamine | 8.54 | 0.28 | 0.11 | j |
C4NH5 | Pyrrole | 8.21 | 0.81 | 0.69 | a |
C5NH5 | Pyridine | 9.67 | 0.57 | 0.43 | a |
C6NH7 | Aniline | 7.70 | 0.62 | 0.52 | a |
C7NH5 | Phenyl cyanide | 9.70 | 0.63 | 0.48 | a |
N2 | Nitrogen | 15.60 | -1.94 | -2.73 | a |
CN2H2 | Diazomethane | 9.00 | 0.54 | 0.53 | a |
CN2H6 | Methylhydrazine | 9.30 | -0.55 | -0.72 | a |
C2N2 | Cyanogen | 13.36 | 0.43 | 0.22 | a |
CN3H3 | Methyl Azide | 9.81 | 0.11 | 0.13 | a |
H2O | Water | 12.62 | -0.51 | -0.72 | d |
Li2O | Lithium oxide (Li2O) | 6.20 | 1.61 | 1.85 | a |
CO | Carbon monoxide | 14.01 | -1.68 | -1.99 | a |
CH2O | Formaldehyde | 10.10 | 0.25 | 0.10 | a |
CH4O | Methanol | 10.96 | -0.23 | -0.43 | a |
BCH3O | BH3CO | 11.92 | -0.29 | -0.17 | k |
C2H2O | Ketene | 9.64 | 0.25 | 0.22 | a |
C2H4O | Acetaldehyde | 10.21 | 0.09 | 0.03 | a |
C2H4O | Ethylene oxide | 10.57 | -0.02 | -0.30 | d |
C2H6O | Dimethyl ether | 10.04 | -0.09 | -0.28 | a |
C2H6O | Ethanol | 10.60 | -0.07 | -0.21 | a |
C3H4O | Acrolein | 10.11 | 0.16 | 0.08 | a |
C3H6O | Acetone | 9.72 | 0.52 | 0.54 | a |
C3H6O | Propanal | 10.00 | 0.19 | 0.10 | a |
C4H4O | Furan | 8.88 | 0.67 | 0.66 | a |
C4H8O | Butanal | 9.83 | 0.35 | 0.27 | a |
C4H10O | Diethyl ether | 9.60 | 0.13 | -0.01 | a |
C7H6O | Benzaldehyde | 9.70 | 0.47 | 0.36 | a |
C7H8O | Anisole | 8.40 | 0.57 | 0.43 | a |
CNHO | Hydrogen isocyanate | 11.60 | -0.41 | -0.37 | a |
CO2 | Carbon dioxide | 13.78 | -1.02 | -0.79 | d |
CH2O2 | Formic acid | 11.51 | 0.02 | 0.07 | a |
C2H2O2 | trans Glyoxal | 10.59 | -0.32 | -0.50 | a |
C2H4O2 | Acetic acid | 10.80 | 0.51 | 0.62 | a |
C2H4O2 | Methyl formate | 11.02 | 0.11 | 0.17 | l |
C2H6O2 | Dimethyl peroxide | 10.60 | -1.24 | -1.61 | a |
C3O2 | Carbon suboxide | 10.60 | 0.08 | 0.19 | a |
C3H4O2 | beta-Propiolactone | 10.60 | 0.44 | 0.59 | a |
C3H6O2 | Methyl acetate | 10.60 | 0.35 | 0.47 | a |
C3H6O2 | Propionic acid | 10.50 | 0.68 | 0.77 | a |
C5H8O2 | Acetylacetone | 9.15 | 1.20 | 1.26 | a |
C7H6O2 | Benzoic acid | 9.80 | 0.46 | 0.39 | a |
CNH3O2 | Methyl nitrite | 11.00 | -0.58 | -0.85 | a |
CNH3O2 | Nitromethane | 11.30 | -0.06 | 0.13 | a |
C3NH7O2 | Alanine | 8.90 | 1.07 | 1.13 | a |
C6NH5O2 | Nitrobenzene | 9.90 | 0.83 | 0.72 | a |
O3 | Ozone | 12.75 | -0.11 | -1.22 | e |
C4H2O3 | Malaic anhydride | 10.84 | 0.70 | 0.84 | a |
C7H6O3 | o-Salicylic acid | 9.80 | -0.24 | -0.21 | a |
C2H2O4 | Oxalic acid | 11.20 | -0.08 | 0.11 | a |
N2O4 | Dinitrogen tetroxide | 11.40 | -0.19 | -0.21 | a |
N2O5 | Dinitrogen pentoxide | 12.30 | 0.04 | 0.31 | a |
HF | Hydrogen fluoride | 16.06 | -0.26 | -0.24 | m |
LiF | Lithium fluoride | 11.30 | 0.09 | 1.10 | n |
CH3F | Fluoromethane | 13.31 | -0.14 | -0.04 | o |
C2HF | Fluoroacetylene | 11.30 | 0.34 | 0.29 | a |
C2H3F | Fluoroethylene | 10.58 | 0.26 | 0.23 | a |
C2H5F | Fluoroethane | 12.43 | -0.32 | -0.27 | a |
C3H7F | 2-Fluoropropane | 11.08 | 0.86 | 0.89 | a |
C6H5F | Fluorobenzene | 9.19 | 0.75 | 0.59 | a |
NOF | Nitrosyl fluoride | 12.94 | -1.13 | -1.53 | p |
C7H5O2F | p-Fluorobenzoic acid | 9.90 | 0.44 | 0.38 | a |
NO2F | Fluorine nitrite | 13.51 | -0.77 | -0.67 | p |
BeF2 | Beryllium difluoride | 14.50 | 0.68 | 0.38 | a |
CH2F2 | Difluoromethane | 13.17 | 0.02 | 0.19 | o |
C2F2 | Difluoroacetylene | 11.20 | 0.44 | 0.33 | a |
C2H2F2 | gem-Difluoroethylene | 10.72 | 0.08 | 0.07 | a |
C2H4F2 | 1,1-Difluoroethane | 12.80 | 0.05 | 0.16 | a |
N2F2 | trans-Difluorodiazene | 13.40 | -1.26 | -1.87 | q |
OF2 | Difluorine oxide | 13.26 | -1.39 | -2.06 | q |
BF3 | Boron trifluoride | 15.70 | -0.83 | -0.44 | a |
CHF3 | Trifluoromethane | 14.80 | -0.34 | -0.26 | a |
C2HF3 | Trifluoroethylene | 10.54 | 0.44 | 0.41 | a |
C2H3F3 | 1,1,1-Trifluoroethane | 13.80 | 0.27 | 0.33 | a |
C7H5F3 | Trifluoromethylbenzene | 9.68 | 0.78 | 0.62 | a |
NF3 | Nitrogen trifluoride | 13.73 | -0.33 | -0.91 | a |
C2HO2F3 | Trifluoroacetic acid | 12.00 | 0.21 | 0.26 | a |
CF4 | Carbon tetrafluoride | 16.23 | -0.14 | -0.19 | a |
C2F4 | Tetrafluoroethylene | 10.50 | 0.59 | 0.51 | a |
N2F4 | Tetrafluorohydrazine | 12.00 | 0.82 | 0.09 | a |
C6HF5 | Pentafluorobenzene | 9.75 | 0.99 | 0.84 | a |
C2F6 | Hexafluoroethane | 14.60 | -0.34 | -0.23 | a |
C6F6 | Hexafluorobenzene | 10.90 | 0.14 | -0.02 | a |
C3OF6 | Perfluoroacetone | 12.10 | 0.07 | -0.04 | a |
NaBO2 | NaBO2 | 9.20 | 0.50 | 0.40 | n |
MgC10H10 | Dicyclopentadienyl magnesium | 11.00 | -2.20 | -2.39 | a |
MgF2 | Magnesium difluoride | 13.30 | 0.06 | -0.47 | n |
AlC3H9 | Trimethylaluminum | 9.76 | 0.36 | 0.55 | r |
SiC2H6 | Vinylsilane | 10.40 | 0.36 | 0.08 | a |
SiC2H8 | Dimethylsilane | 11.20 | 0.16 | -0.56 | a |
SiC2H8 | Ethylsilane | 10.18 | 0.66 | 0.17 | n |
SiC3H10 | Trimethylsilane | 10.70 | 0.39 | -0.44 | a |
SiC4H12 | Tetramethylsilane | 9.80 | 1.05 | 0.13 | a |
SiH2F2 | Difluorosilane | 12.85 | 0.26 | -1.29 | s |
SiF4 | Silicon tetrafluoride | 15.81 | -0.24 | -0.45 | t |
Si2C6NH19 | Hexamethyldisilazane | 8.66 | -0.15 | 0.48 | u |
PH3 | Phosphine | 9.98 | 1.06 | -0.25 | v |
CPH5 | Methylphosphine | 9.72 | 0.50 | -0.42 | a |
C2PH7 | Dimethylphosphine | 9.10 | 0.47 | -0.16 | a |
C3PH9 | Trimethylphosphine | 8.60 | 0.50 | 0.06 | n |
C3PH9O3 | Trimethyl phosphite | 9.00 | 0.77 | 0.61 | a |
PF3 | Phosphorus trifluoride | 9.71 | 2.22 | 1.80 | v |
POF3 | Phosphorus oxyfluoride | 12.77 | -1.11 | 0.29 | a |
H2S | Hydrogen sulfide (H2S) | 10.43 | -1.06 | -0.99 | n |
CS | Carbon sulfide | 11.30 | -0.59 | -0.66 | a |
CH2S | Thioformaldehyde | 9.34 | -0.57 | -0.45 | w |
CH4S | Thiomethanol | 9.44 | -0.58 | -0.53 | n |
C2H2S | Thioketene, H2CCS | 8.89 | -0.11 | 0.05 | x |
C2H4S | Thiirane | 8.87 | 0.06 | 0.15 | n |
C2H6S | Dimethyl thioether | 8.65 | -0.23 | -0.19 | n |
C2H6S | Thioethanol | 9.21 | -0.37 | -0.31 | y |
C3H6S | Thietane | 8.65 | -0.06 | 0.02 | z |
C3H8S | 1-Propanthiol | 9.19 | -0.34 | -0.27 | a |
C3H8S | Isopropanthiol | 9.14 | -0.32 | -0.24 | a |
C4H4S | Thiophene | 8.95 | 0.09 | 0.10 | n |
C4H8S | Tetrahydrothiophene | 8.60 | -0.21 | -0.14 | a |
C4H10S | Butanethiol | 9.15 | -0.31 | -0.24 | a |
C6H6S | Thiophenol | 8.47 | 0.21 | 0.24 | z |
NS | Sulfur nitride | 8.87 | 0.09 | 1.72 | a |
CNHS | Hydrogen isothiocyanate | 9.94 | -0.72 | -0.61 | a |
C2NH3S | Methyl isothiocyanate | 9.37 | -0.49 | -0.37 | a |
C2NH3S | Methyl thiocyanate | 9.96 | -0.59 | -0.50 | a |
CSO | Carbon oxysulfide | 11.20 | -1.01 | -0.81 | a |
C2H4SO | Thiolacetic acid | 9.70 | -0.02 | 0.17 | a |
C2H6SO | Dimethyl sulfoxide | 9.01 | -0.39 | -0.65 | a |
SO2 | Sulfur dioxide | 12.30 | -2.22 | -2.47 | n |
SO3 | Sulfur trioxide | 11.00 | 1.21 | 1.23 | n |
SF | Sulfur fluoride | 10.00 | -0.52 | -0.22 | a |
SF2 | Sulfur difluoride | 10.20 | -0.87 | -0.67 | a |
CSF2 | Thiocarbonyl difluoride | 10.46 | -0.43 | -0.33 | a |
SOF2 | Thionyl fluoride | 12.58 | -2.14 | -2.28 | a |
SO2F2 | Sulfuryl fluoride | 13.04 | -0.26 | -0.08 | a |
SF4 | Sulfur tetrafluoride | 12.05 | -1.71 | -1.67 | a |
SF6 | Sulfur hexafluoride | 15.70 | 0.04 | 0.05 | a |
PS | Phosphorus sulfide | 9.00 | -0.50 | 0.77 | a |
H2S2 | Hydrogen disulfide | 10.01 | -0.62 | -0.46 | aa |
CS2 | Carbon disulfide | 10.08 | -0.98 | -0.72 | n |
C2H6S2 | 2,3-Dithiabutane | 8.71 | 0.08 | 0.17 | n |
C2H6S2 | Ethanedithiol-1,2 | 9.30 | -0.27 | -0.17 | z |
C2N2S2 | S2(CN)2 | 11.05 | -0.78 | -0.63 | a |
S2F2 | FSSF | 10.68 | -1.03 | -0.77 | a |
C3H4S3 | 1,3-Dithiolan-2-thione | 8.40 | 0.34 | 0.45 | a |
S8 | S8 | 9.04 | -0.15 | -0.07 | n |
HCl | Hydrogen chloride | 12.75 | -1.02 | -1.16 | m |
LiCl | Lithium chloride | 9.57 | 0.26 | 0.35 | a |
CH3Cl | Methyl chloride | 11.30 | -0.35 | -0.60 | a |
C7H5ClO | Benzoyl chloride | 9.90 | 0.68 | 0.53 | a |
NClO | Nitrosyl chloride | 10.90 | 0.12 | -0.30 | a |
NClO2 | Nitryl chloride | 11.40 | 0.47 | 0.58 | a |
ClF | Chlorine fluoride | 12.02 | -0.29 | -0.53 | bb |
BeClF | Beryllium chloride fluoride | 13.00 | -1.20 | -1.07 | a |
CH2ClF | Fluorochloromethane | 11.74 | -0.43 | -0.62 | a |
CHClF2 | Difluorochloromethane | 12.60 | -0.76 | -0.88 | a |
CClF3 | Trifluorochloromethane | 10.30 | 2.13 | 2.03 | a |
SClO2F | SO2ClF | 12.61 | -0.18 | -0.18 | a |
Li2Cl2 | Lithium chloride, dimer | 10.20 | 0.31 | 0.55 | a |
BeCl2 | Beryllium dichloride | 12.50 | -0.63 | -0.91 | a |
CH2Cl2 | Dichloromethane | 11.30 | -0.08 | -0.38 | a |
CCl2O | Carbonyl chloride | 11.84 | 0.10 | -0.09 | a |
CHCl2F | Fluorodichloromethane | 12.00 | -0.27 | -0.63 | a |
CCl2F2 | Difluorodichloromethane | 12.30 | -0.21 | -0.56 | a |
MgCl2 | Magnesium dichloride | 10.50 | 0.87 | 0.81 | a |
SiH2Cl2 | Dichlorosilane | 11.70 | 0.03 | -0.68 | s |
SiC2H6Cl2 | Dichlorodimethylsilane | 10.79 | 0.25 | -0.26 | a |
SCl2 | Sulfur dichloride | 9.70 | 0.04 | -0.12 | a |
SCl2O | Thionyl chloride | 11.10 | -0.50 | -0.70 | a |
SCl2O2 | Sulfuryl chloride | 12.40 | 0.05 | -0.03 | a |
S2Cl2 | ClSSCl | 9.40 | 0.52 | 0.45 | a |
BCl3 | Boron trichloride | 11.62 | 0.20 | -0.09 | a |
CCl3 | Trichloromethyl | 8.28 | 1.25 | 0.89 | a |
CHCl3 | Chloroform | 11.48 | 0.14 | -0.18 | a |
B3N3H3Cl3 | B3N3Cl3H3 | 10.55 | 0.06 | 0.16 | cc |
CCl3F | Fluorotrichloromethane | 11.90 | 0.15 | -0.29 | a |
AlCl3 | Aluminum trichloride | 12.01 | -0.99 | -0.53 | a |
PCl3 | Phosphorus trichloride | 10.50 | 0.28 | 0.05 | a |
PCl3O | Phosphorus oxychloride | 11.85 | -0.67 | 0.33 | a |
LiAlCl4 | LiAlCl4 | 10.50 | 0.40 | 0.77 | a |
SiCl4 | Silicon tetrachloride | 11.79 | 0.07 | -0.22 | dd |
PCl5 | Phosphorus pentachloride | 10.80 | -0.05 | 0.75 | a |
C2Cl6 | Hexachloroethane | 11.20 | 0.67 | 0.19 | a |
KBO2 | KBO2 | 8.62 | 0.89 | 0.61 | a |
KCl | Potassium chloride | 8.44 | 0.82 | -0.08 | a |
TiCl4 | Titanium tetrachloride | 11.70 | -0.35 | 0.09 | a |
ZnC2H6 | Dimethyl zinc | 9.40 | -0.71 | 0.13 | a |
ZnC4H10 | Diethyl zinc | 8.60 | -0.34 | 0.36 | a |
ZnCl2 | Zinc dichloride | 11.87 | -0.60 | -0.48 | ee |
GeH4 | Germane | 11.31 | 0.69 | 0.85 | ff |
GeC4H12 | Tetramethylgermanium | 9.29 | 0.94 | 0.90 | gg |
GeC7H18 | t-Butyltrimethylgermane | 8.98 | 0.11 | 0.12 | gg |
GeC8H20 | Tetraethylgermanium | 9.30 | 0.21 | 0.25 | a |
GeO | Germanium oxide | 11.25 | -2.55 | -2.14 | a |
GeF4 | Germanium tetrafluoride | 16.06 | -2.63 | -1.57 | a |
GeC3H9Cl | Trimethylchlorogermane | 10.50 | -0.26 | -0.22 | hh |
GeCl4 | Germanium tetrachloride | 11.88 | -0.24 | 0.14 | t |
Ge2C6H18 | Hexamethyl digermane | 8.18 | 0.70 | 0.29 | gg |
Ge3NH9 | Trigermylamine | 9.20 | -0.95 | -1.25 | a |
AsH3 | Arsine | 10.58 | -0.79 | -1.02 | a |
C3AsH9 | Trimethylarsine | 8.65 | 0.02 | -0.04 | a |
AsF3 | Arsenic trifluoride | 12.30 | -0.97 | -1.47 | a |
AsCl3 | Arsenic trichloride | 10.55 | 0.27 | 0.07 | a |
As4O6 | Arsenic trioxide dimer | 10.01 | 0.03 | -0.83 | a |
H2Se | Hydrogen selenide | 9.88 | -1.59 | -1.12 | a |
C2H6Se | Dimethylselenium | 8.40 | -0.52 | -0.20 | a |
C4H4Se | Selenophene | 8.78 | -0.45 | 0.03 | a |
C4H8Se | Tetrahydroselenophene | 8.14 | -0.31 | -0.01 | a |
SeCl2 | Selenium dichloride | 9.50 | -0.62 | -0.30 | a |
CSe2 | Carbon diselenide | 9.25 | -1.38 | -0.47 | a |
Se2Cl2 | ClSeSeCl | 9.81 | -1.04 | -0.62 | a |
HBr | Hydrogen bromide | 11.71 | -1.06 | -0.57 | m |
LiBr | Lithium bromide | 9.43 | -0.46 | -0.23 | a |
CH3Br | Bromomethane | 10.53 | -0.32 | 0.08 | a |
C2H3Br | Bromoethylene | 9.90 | 0.06 | 0.32 | a |
C2H5Br | Bromoethane | 10.28 | -0.16 | 0.19 | a |
C3H7Br | 1-Bromopropane | 10.18 | -0.06 | 0.30 | a |
C6H5Br | Bromobenzene | 9.25 | 0.35 | 0.40 | a |
C2H3BrO | Acetyl bromide | 10.55 | 0.01 | 0.34 | dd |
CBrF3 | Bromotrifluoromethane | 12.10 | -0.61 | -0.10 | a |
NaBr | Sodium bromide | 8.31 | 0.85 | 0.09 | a |
KBr | Potassium bromide | 7.85 | 0.97 | 0.05 | a |
GeC3H9Br | Trimethylbromogermane | 10.00 | -0.25 | 0.03 | hh |
Br2 | Bromine | 10.70 | -0.20 | 0.01 | a |
Li2Br2 | Lithium bromide, dimer | 10.05 | -0.69 | -0.49 | a |
CH2Br2 | Dibromomethane | 10.50 | -0.14 | 0.10 | a |
CBr2F2 | Difluorodibromomethane | 11.18 | -0.18 | -0.07 | a |
C2Br2F4 | 1,2-Dibromotetrafluoroethane | 11.44 | -0.15 | 0.07 | a |
ZnBr2 | Zinc dibromide | 10.89 | -0.60 | 0.18 | a |
SeBr2 | Selenium dibromide | 9.17 | -0.41 | -0.25 | a |
CHBr3 | Bromoform | 10.50 | 0.07 | 0.25 | a |
PBr3 | Phosphorus tribromide | 10.00 | -0.18 | -0.21 | a |
GaBr3 | Gallium tribromide | 10.94 | -0.02 | 0.32 | a |
RbCl | Rubidium chloride | 8.50 | 0.34 | 0.06 | a |
RbBr | Rubidium bromide | 7.94 | 0.14 | 0.12 | a |
CdC2H6 | Dimethyl cadmium | 8.80 | 1.60 | -0.20 | a |
CdC4H10 | Diethyl cadmium | 8.20 | 1.14 | -0.13 | a |
CdF2 | Cadmium difluoride | 13.18 | 0.77 | -0.98 | a |
CdCl2 | Cadmium dichloride | 11.30 | 0.20 | -0.23 | a |
CdBr2 | Cadmium dibromide | 10.58 | -0.02 | -0.10 | a |
InCl | Indium chloride | 9.71 | -0.21 | 0.17 | a |
InBr3 | Indium tribromide | 10.30 | 0.44 | 1.09 | a |
SnH4 | Tin tetrahydride (stannane) | 9.20 | 2.19 | 2.15 | ii |
SnC4H12 | Tetramethyltin | 8.90 | 1.64 | 1.33 | a |
SnC8H20 | Tetraethyltin | 8.90 | 0.89 | 0.52 | a |
SnF2 | Tin difluoride | 8.00 | 3.28 | 1.68 | a |
SnS | Tin sulfide | 9.40 | -0.46 | -0.30 | a |
SnC3H9Cl | Trimethyltin chloride | 9.88 | 0.60 | 0.61 | jj |
SnCl2 | Tin dichloride | 10.10 | 0.48 | -0.54 | kk |
SnCl4 | Tin tetrachloride | 11.90 | 0.06 | 0.35 | t |
SnGeC6H18 | GeMe3-SnMe3 | 8.20 | 0.99 | 0.51 | ll |
SnSe | Tin selenide | 9.00 | -0.31 | 0.07 | a |
SnC3H9Br | Trimethyltin bromide | 9.60 | 0.19 | 0.54 | jj |
SnBr2 | Tin dibromide | 9.80 | 0.06 | -0.65 | a |
SnBr4 | Tin tetrabromide | 11.00 | -0.02 | 0.50 | dd |
SbH3 | Stibine | 9.51 | 0.60 | -0.47 | a |
C3SbH9 | Trimethylstibine | 8.48 | 0.46 | 0.19 | a |
C18SbH15 | Triphenylstibine | 8.08 | 0.92 | 0.70 | a |
SbF3 | Antimony trifluoride | 12.61 | -0.42 | -0.81 | a |
SbCl3 | Antimony trichloride | 10.70 | 0.39 | -0.04 | a |
TeSe | Selenium telluride | 8.80 | -0.89 | -0.73 | a |
SnTe | Tin telluride | 8.61 | -0.54 | -0.09 | a |
HI | Hydrogen iodide | 10.39 | -0.84 | -0.20 | v |
LiI | Lithium iodide | 8.44 | 0.39 | -0.35 | a |
CH3I | Methyl iodide | 9.50 | -0.48 | 0.38 | a |
C2H5I | Iodoethane | 9.34 | -0.37 | 0.39 | a |
C3H7I | 1-Iodopropane | 9.27 | -0.30 | 0.47 | a |
C3H7I | 2-Iodopropane | 9.40 | -0.48 | 0.17 | a |
C4H9I | 1-Butyl iodide | 9.20 | -0.24 | 0.54 | a |
C6H5I | Iodobenzene | 8.70 | 0.17 | 0.71 | a |
C6H11I | Iodocyclohexane | 8.91 | 0.00 | 0.68 | a |
C7H7I | Benzyl iodide | 8.91 | 0.05 | 0.40 | a |
CIF3 | Trifluoroiodomethane | 10.45 | -0.54 | 0.56 | a |
NaI | Sodium iodide | 7.64 | 0.96 | -0.21 | a |
ICl | Iodine chloride | 10.10 | -0.57 | 0.14 | mm |
GaI | Gallium iodide | 9.00 | -0.10 | 0.50 | a |
IBr | Iodine bromide | 9.85 | -0.42 | 0.33 | mm |
RbI | Rubidium iodide | 7.30 | 1.17 | -0.36 | a |
Li2I2 | Lithium iodide, dimer | 9.23 | -0.16 | -0.88 | a |
CH2I2 | Diiodomethane | 9.46 | -0.31 | 0.29 | a |
C2I2 | Diiodoacetylene | 9.03 | -0.23 | 0.83 | nn |
MgI2 | Magnesium diiodide | 9.57 | 0.03 | 0.21 | a |
CaI2 | Calcium diiodide | 10.10 | -0.68 | -0.74 | a |
ZnI2 | Zinc diiodide | 9.73 | -0.18 | 0.43 | a |
SrI2 | Strontium diiodide | 10.00 | -0.75 | -0.63 | a |
GaI3 | Gallium triiodide | 9.51 | 0.34 | 0.73 | a |
GeI4 | Germanium tetraiodide | 9.42 | 0.48 | 0.86 | a |
CsF | Cesium fluoride | 9.70 | 0.35 | -0.52 | a |
CsAlF4 | Cesium tetrafluoroaluminate | 13.12 | -1.22 | - | a |
CsCl | Cesium chloride | 7.84 | 1.06 | 0.73 | a |
CsBr | Cesium bromide | 8.00 | 0.32 | 0.31 | a |
CsI | Cesium iodide | 7.20 | 0.70 | 0.76 | a |
BaCl2 | Barium dichloride | 10.00 | 0.42 | 0.08 | a |
HgC2H6 | Dimethylmercury | 9.33 | 0.80 | -0.15 | oo |
HgC4H10 | Diethylmercury | 8.45 | 1.04 | -0.06 | oo |
HgC6H14 | Di-n-propylmercury | 8.29 | 1.25 | 0.24 | oo |
HgC12H10 | Diphenylmercury | 8.30 | 1.46 | 1.03 | a |
HgCH3Cl | Methylmercuric chloride | 10.88 | 0.15 | -0.49 | pp |
HgC2H5Cl | Ethylmercuric chloride | 10.22 | 0.55 | -0.59 | |
HgC3H7Cl | n-Propylmercuric chloride | 10.15 | 0.65 | -0.45 | |
HgCl2 | Mercury dichloride | 11.37 | 0.13 | -0.08 | pp |
HgCH3Br | Methylmercuric bromide | 9.25 | 0.94 | 0.71 | pp |
HgBr2 | Mercury dibromide | 10.62 | -0.10 | -0.10 | pp |
HgI2 | Mercury diiodide | 9.50 | 0.06 | 0.39 | pp |
Hg2 | Mercury, dimer | 9.40 | 1.13 | 1.86 | a |
TlF | Thallium fluoride | 10.80 | 0.89 | 0.45 | a |
TlCl | Thallium chloride | 9.89 | 0.87 | 0.05 | a |
TlI | Thallium iodide | 8.47 | 0.32 | 0.40 | a |
LiPb | Lithium plumbide | 6.40 | 0.86 | -0.16 | a |
PbC4H12 | Tetramethyllead | 8.90 | 1.48 | 0.65 | rr |
PbC7H18 | t-Butyltrimethyllead | 7.99 | 1.16 | 0.29 | gg |
PbC8H20 | Tetraethyllead | 8.13 | 1.46 | 0.77 | rr |
PbC10H10 | Bicyclopentadienyllead (plumbocene) | 7.53 | 1.22 | 0.67 | a |
PbO | Lead oxide | 9.08 | 0.73 | 0.44 | ss |
PbO2 | Lead dioxide | 8.87 | 2.09 | 1.64 | ss |
PbF2 | Lead difluoride | 11.84 | 0.21 | -0.74 | tt |
PbCl2 | Lead dichloride | 10.34 | 0.32 | 0.07 | uu |
PbBr2 | Lead dibromide | 9.85 | 0.21 | -0.18 | uu |
PbTe | Lead telluride | 8.04 | -1.15 | 0.47 | a |
PbI2 | Lead diiodide | 8.90 | 0.32 | -0.05 | uu |
Pb2C6H18 | Hexamethyldiplumbane | 7.41 | 1.10 | 0.69 | gg |
LiBi | Lithium bismuthide | 6.00 | -2.50 | -2.66 | a |
BiC5H5 | C5H5Bi (Bismin) | 7.90 | 0.11 | 0.10 | a |
BiC18H15 | Triphenylbismuth | 7.45 | 1.70 | 1.37 | a |
BiF3 | Bismuth trifluoride | 12.00 | 0.22 | 0.07 | a |
Bi2 | Bismuth, dimer | 7.30 | 0.75 | -0.71 | a |
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