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Comparison of polarizabilities for HSEh1PBE/aug-cc-pVTZ

Units are Å3
Change units.
species name calculated experimental difference
BeH2 beryllium dihydride 3.074 4.340 -1.266
CH2CHCHCH2 1,3-Butadiene 7.847 8.881 -1.034
HCCCl Chloroacetylene 5.502 6.070 -0.568
CSe2 Carbon diselenide 10.773 11.269 -0.496
O3 Ozone 2.698 3.079 -0.381
CH3CH2CH2CN Butanenitrile 8.040 8.400 -0.360
C5H8O Cyclopentanone 8.960 9.250 -0.289
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.243 6.499 -0.256
C3H6 Cyclopropane 5.385 5.640 -0.255
AsCl3 Arsenous trichloride 11.121 11.370 -0.249
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.272 6.499 -0.228
NH2CH2CH2CH3 1-Propanamine 7.485 7.700 -0.215
PBr3 Phosphorus tribromide 14.170 14.380 -0.210
NO2 Nitrogen dioxide 2.714 2.910 -0.196
CH3CH2COOH Propanoic Acid 6.787 6.960 -0.173
N2O Nitrous oxide 2.827 2.998 -0.170
H2CO Formaldehyde 2.637 2.770 -0.133
SO2 Sulfur dioxide 3.759 3.882 -0.123
C2N2 Cyanogen 4.894 5.015 -0.120
SeF6 Selenium hexafluoride 5.200 5.320 -0.120
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.284 8.401 -0.116
Cl2 Chlorine diatomic 4.494 4.610 -0.116
CHCCH2CH3 1-Butyne 7.296 7.410 -0.114
H2Se Hydrogen selenide 4.657 4.770 -0.113
HCN Hydrogen cyanide 2.502 2.593 -0.091
C2H4 Ethylene 4.101 4.188 -0.087
H2O Water 1.417 1.501 -0.084
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.966 8.049 -0.083
GeCl4 Germanium Tetrachloride 12.418 12.490 -0.073
O2 Oxygen diatomic 1.493 1.562 -0.069
BF3 Borane, trifluoro- 2.360 2.420 -0.060
CH3OH Methyl alcohol 3.158 3.210 -0.052
N2H4 Hydrazine 3.411 3.460 -0.049
C2H2 Acetylene 3.438 3.487 -0.049
CH3CH2SH ethanethiol 7.339 7.380 -0.041
C6H12 hex-1-ene 11.620 11.650 -0.031
O2 Oxygen diatomic 1.532 1.562 -0.030
H2+ Hydrogen cation 0.441 0.469 -0.029
CO Carbon monoxide 1.930 1.953 -0.023
NO Nitric oxide 1.685 1.698 -0.013
CO2 Carbon dioxide 2.501 2.507 -0.006
CH3F Methyl fluoride 2.534 2.540 -0.006
NH3 Ammonia 2.109 2.103 0.007
CH2CHCH3 Propene 5.998 5.990 0.009
HF Hydrogen fluoride 0.809 0.800 0.009
SiH4 Silane 4.788 4.777 0.010
CH2ClCH2OH 2-Chloroethanol 6.894 6.880 0.013
C2H6 Ethane 4.249 4.226 0.023
H2S Hydrogen sulfide 3.655 3.631 0.024
C4H10O 1-Butanol 8.595 8.570 0.025
CHONH2 formamide 4.105 4.080 0.026
CHONH2 formamide 4.106 4.080 0.026
F2 Fluorine diatomic 1.189 1.160 0.029
N2 Nitrogen diatomic 1.741 1.710 0.030
H2 Hydrogen diatomic 0.819 0.787 0.031
HCl Hydrogen chloride 2.556 2.515 0.041
C2H6 Ethane 4.269 4.226 0.042
C10H22 Decane 19.145 19.100 0.046
CH4 Methane 2.502 2.448 0.054
C4H8O2 Ethyl acetate 8.687 8.620 0.067
CH3NH2 methyl amine 3.844 3.754 0.090
C3H4N2 1H-Imidazole 7.183 7.090 0.093
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.112 8.000 0.111
C3H8 Propane 6.078 5.921 0.157
CF2Cl2 difluorodichloromethane 6.547 6.370 0.177
C10H8 naphthalene 17.615 17.400 0.215
P Phosphorus atom 3.883 3.630 0.253
PH3 Phosphine 4.582 4.237 0.346
CO Carbon monoxide 2.441 1.953 0.488
C4H2 Diacetylene 7.328 6.811 0.518
C6H4Cl2 1,3-dichlorobenzene 14.639 13.729 0.910
C10H8 Azulene 19.255 15.520 3.735