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Comparison of polarizabilities for SVWN/6-31G(2df,p)

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 4.317    
C16H10 Pyrene 26.483 29.720 -3.237
CH2CHCHCH2 1,3-Butadiene 6.530 8.881 -2.351
(CH3)3CC(CH3)3 tetramethylbutane 13.325 15.610 -2.285
CSe2 Carbon diselenide 9.226 11.269 -2.043
PBr3 Phosphorus tribromide 12.553 14.380 -1.827
AsCl3 Arsenous trichloride 9.553 11.370 -1.817
C9H20 Nonane 15.588 17.370 -1.782
C6H15N triethylamine 11.664 13.380 -1.716
C6H12 hex-1-ene 10.219 11.650 -1.431
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 7.039 8.401 -1.362
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.722 8.000 -1.279
CH3CH2SH ethanethiol 6.108 7.380 -1.272
Cl2 Chlorine diatomic 3.386 4.610 -1.224
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.280 6.499 -1.220
C5H8O Cyclopentanone 8.031 9.250 -1.218
C3H7OC3H7 di-n-propyl ether 11.042 12.219 -1.177
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.325 6.499 -1.174
CH2ClCH2OH 2-Chloroethanol 5.765 6.880 -1.115
C3H7OC3H7 di-n-propyl ether 11.139 12.219 -1.080
C2H2 Acetylene 2.443 3.487 -1.044
CH3CH2COOH Propanoic Acid 5.922 6.960 -1.039
C6H4Cl2 1,3-dichlorobenzene 12.699 13.729 -1.031
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.033 8.049 -1.016
H2S Hydrogen sulfide 2.635 3.631 -0.995
C3H6 Cyclopropane 4.648 5.640 -0.992
C4H10O 1-Butanol 7.587 8.570 -0.982
C2H4 Ethylene 3.214 4.188 -0.974
CH2CHCH3 Propene 5.022 5.990 -0.968
C4H2 Diacetylene 5.858 6.811 -0.953
C4H8O2 Ethyl acetate 7.736 8.620 -0.884
C3H7ONO Propyl nitrite 7.639 8.500 -0.861
C2N2 Cyanogen 4.192 5.015 -0.822
SiH4 Silane 3.966 4.777 -0.812
SeF6 Selenium hexafluoride 4.519 5.320 -0.801
HCl Hydrogen chloride 1.733 2.515 -0.781
SO2 Sulfur dioxide 3.110 3.882 -0.773
CHONH2 formamide 3.316 4.080 -0.763
CHONH2 formamide 3.317 4.080 -0.763
NO2 Nitrogen dioxide 2.167 2.910 -0.743
NH3 Ammonia 1.428 2.103 -0.675
CH3NH2 methyl amine 3.090 3.754 -0.664
C2H6 Ethane 3.581 4.226 -0.645
N2O Nitrous oxide 2.353 2.998 -0.645
HCN Hydrogen cyanide 1.952 2.593 -0.641
CH3OH Methyl alcohol 2.596 3.210 -0.613
H2CO Formaldehyde 2.174 2.770 -0.595
C2H6 Ethane 3.641 4.226 -0.585
H2O Water 0.952 1.501 -0.549
CH4 Methane 2.011 2.448 -0.437
CO2 Carbon dioxide 2.091 2.507 -0.416
O2 Oxygen diatomic 1.168 1.562 -0.394
H2 Hydrogen diatomic 0.396 0.787 -0.391
CH3F Methyl fluoride 2.153 2.540 -0.387
CO Carbon monoxide 1.568 1.953 -0.386
BF3 Borane, trifluoro- 2.045 2.420 -0.375
N2 Nitrogen diatomic 1.411 1.710 -0.300
HF Hydrogen fluoride 0.574 0.800 -0.227
F2 Fluorine diatomic 0.939 1.160 -0.221
H2+ Hydrogen cation 0.340 0.469 -0.129
C10H8 Azulene 16.721 15.520 1.201