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Comparison of polarizabilities for M06-2X/6-311G**

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.426    
C16H10 Pyrene 25.799 29.720 -3.921
PBr3 Phosphorus tribromide 10.633 14.380 -3.747
C24H12 Coronene 39.703 42.499 -2.797
CSe2 Carbon diselenide 8.588 11.269 -2.682
AsCl3 Arsenous trichloride 8.750 11.370 -2.620
GeCl4 Germanium Tetrachloride 9.950 12.490 -2.540
CCl3CHO trichloroacetaldehyde 8.033 10.500 -2.467
CH2CHCHCH2 1,3-Butadiene 6.478 8.881 -2.403
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.235 8.401 -2.165
C10H8 naphthalene 15.256 17.400 -2.144
HCCCl Chloroacetylene 3.944 6.070 -2.126
(CH3)3CC(CH3)3 tetramethylbutane 13.492 15.610 -2.118
CH3CHBrCH3 i-propyl bromide 7.569 9.600 -2.031
Cl2 Chlorine diatomic 2.640 4.610 -1.970
BeH2 beryllium dihydride 2.524 4.340 -1.816
P Phosphorus atom 1.817 3.630 -1.813
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.210 8.000 -1.791
C10H22 Decane 17.364 19.100 -1.735
C6H15N triethylamine 11.654 13.380 -1.725
C9H20 Nonane 15.684 17.370 -1.686
C6H4Cl2 1,3-dichlorobenzene 12.081 13.729 -1.648
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.860 6.499 -1.640
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.883 6.499 -1.617
H2Se Hydrogen selenide 3.168 4.770 -1.602
CH3CH2CH2Br n-propyl bromide 7.498 9.070 -1.572
CH2ClCH2OH 2-Chloroethanol 5.412 6.880 -1.469
CH3CH2CH2CN Butanenitrile 6.951 8.400 -1.449
C6H12 hex-1-ene 10.245 11.650 -1.405
SeF6 Selenium hexafluoride 3.926 5.320 -1.394
CHCCH2CH3 1-Butyne 6.048 7.410 -1.362
C5H8O Cyclopentanone 7.931 9.250 -1.319
CH3CH2SH ethanethiol 6.061 7.380 -1.318
H2S Hydrogen sulfide 2.323 3.631 -1.308
C3H7OC3H7 di-n-propyl ether 10.935 12.219 -1.284
C3H7ONO Propyl nitrite 7.228 8.500 -1.272
NH2CH2CH2CH3 1-Propanamine 6.430 7.700 -1.270
CH3CH2COOH Propanoic Acid 5.695 6.960 -1.265
C3H4N2 1H-Imidazole 5.826 7.090 -1.264
CH2CHCH2CH2CH3 1-pentene 8.397 9.650 -1.253
O3 Ozone 1.897 3.079 -1.182
HCl Hydrogen chloride 1.336 2.515 -1.179
C4H8O2 Ethyl acetate 7.444 8.620 -1.176
C4H2 Diacetylene 5.637 6.811 -1.174
C3H7OC3H7 di-n-propyl ether 11.055 12.219 -1.165
C2N2 Cyanogen 3.873 5.015 -1.141
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.925 8.049 -1.125
SO2 Sulfur dioxide 2.802 3.882 -1.081
C4H10O 1-Butanol 7.505 8.570 -1.065
C2H2 Acetylene 2.450 3.487 -1.037
N2H4 Hydrazine 2.442 3.460 -1.018
CHONH2 formamide 3.073 4.080 -1.006
CHONH2 formamide 3.076 4.080 -1.003
SiH4 Silane 3.808 4.777 -0.970
NO2 Nitrogen dioxide 1.943 2.910 -0.967
CH2CHCH3 Propene 5.036 5.990 -0.953
C2H4 Ethylene 3.239 4.188 -0.949
C3H6 Cyclopropane 4.727 5.640 -0.913
N2O Nitrous oxide 2.102 2.998 -0.895
H2CO Formaldehyde 1.980 2.770 -0.789
BF3 Borane, trifluoro- 1.639 2.420 -0.781
CH3OH Methyl alcohol 2.443 3.210 -0.767
PH3 Phosphine 3.479 4.237 -0.757
CH3NH2 methyl amine 3.027 3.754 -0.727
HCN Hydrogen cyanide 1.867 2.593 -0.726
NH3 Ammonia 1.387 2.103 -0.715
O2 Oxygen diatomic 0.886 1.562 -0.676
CO2 Carbon dioxide 1.835 2.507 -0.672
H2O Water 0.862 1.501 -0.639
C2H6 Ethane 3.608 4.226 -0.618
CH3F Methyl fluoride 1.925 2.540 -0.615
NO Nitric oxide 1.096 1.698 -0.603
O2 Oxygen diatomic 0.965 1.562 -0.597
C2H6 Ethane 3.673 4.226 -0.554
C3H8 Propane 5.374 5.921 -0.547
F2 Fluorine diatomic 0.646 1.160 -0.514
CO Carbon monoxide 1.479 1.953 -0.474
N2 Nitrogen diatomic 1.265 1.710 -0.445
CH4 Methane 2.004 2.448 -0.444
HF Hydrogen fluoride 0.405 0.800 -0.396
CO Carbon monoxide 1.563 1.953 -0.390
H2 Hydrogen diatomic 0.432 0.787 -0.355
H2+ Hydrogen cation 0.382 0.469 -0.088
C10H8 Azulene 16.877 15.520 1.357