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Comparison of polarizabilities for MP2=FULL/STO-3G

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 3.811    
C24H12 Coronene 26.442 42.499 -16.057
C16H10 Pyrene 16.117 29.720 -13.603
C10H22 Decane 8.169 19.100 -10.931
C9H20 Nonane 7.333 17.370 -10.037
(CH3)3CC(CH3)3 tetramethylbutane 6.356 15.610 -9.254
PBr3 Phosphorus tribromide 5.128 14.380 -9.252
C10H8 naphthalene 9.042 17.400 -8.357
GeCl4 Germanium Tetrachloride 4.373 12.490 -8.117
C6H15N triethylamine 5.516 13.380 -7.864
C6H4Cl2 1,3-dichlorobenzene 6.664 13.729 -7.065
C3H7OC3H7 di-n-propyl ether 5.353 12.219 -6.866
C6H12 hex-1-ene 4.807 11.650 -6.843
AsCl3 Arsenous trichloride 4.531 11.370 -6.839
CSe2 Carbon diselenide 4.526 11.269 -6.744
CCl3CHO trichloroacetaldehyde 3.876 10.500 -6.624
CH3CHBrCH3 i-propyl bromide 3.188 9.600 -6.412
CH3CH2CH2Br n-propyl bromide 3.190 9.070 -5.880
C5H10 Cyclopentane 3.822 9.170 -5.348
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 3.130 8.401 -5.271
CH2ClCH2Cl Ethane, 1,2-dichloro- 2.762 8.000 -5.239
C5H8O Cyclopentanone 4.015 9.250 -5.235
CH3CH2CH2CN Butanenitrile 3.385 8.400 -5.015
C4H10O 1-Butanol 3.626 8.570 -4.944
CH3CH2SH ethanethiol 2.543 7.380 -4.836
CH3CH(CH3)CH3 Isobutane 3.180 8.009 -4.830
CH3CH2SH ethanethiol 2.562 7.380 -4.818
C4H8O2 Ethyl acetate 3.922 8.620 -4.698
CH3CH(CH3)CN Propanenitrile, 2-methyl- 3.372 8.049 -4.677
C3H7ONO Propyl nitrite 3.824 8.500 -4.676
NH2CH2CH2CH3 1-Propanamine 3.032 7.700 -4.668
CHCCH2CH3 1-Butyne 2.781 7.410 -4.629
C10H8 Azulene 10.920 15.520 -4.600
C4H5N Pyrrole 3.455 7.940 -4.485
C3H7NO dimethylformamide 3.366 7.809 -4.443
HCCCl Chloroacetylene 1.632 6.070 -4.438
C3H7NO dimethylformamide 3.458 7.809 -4.351
CH2ClCH2OH 2-Chloroethanol 2.606 6.880 -4.274
C4H2 Diacetylene 2.556 6.811 -4.255
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.303 6.499 -4.197
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.310 6.499 -4.189
CH3CH2COOH Propanoic Acid 2.971 6.960 -3.989
C3H4N2 1H-Imidazole 3.171 7.090 -3.919
H2Se Hydrogen selenide 1.085 4.770 -3.685
CH2CHCH3 Propene 2.309 5.990 -3.680
C3H8 Propane 2.391 5.921 -3.530
C3H6 Cyclopropane 2.203 5.640 -3.437
C6F6 hexafluorobenzene 6.201 9.580 -3.379
SiH4 Silane 1.404 4.777 -3.373
Cl2 Chlorine diatomic 1.251 4.610 -3.359
SO2 Sulfur dioxide 0.741 3.882 -3.142
BeH2 beryllium dihydride 1.222 4.340 -3.118
C2N2 Cyanogen 1.978 5.015 -3.037
PH3 Phosphine 1.325 4.237 -2.911
H2S Hydrogen sulfide 0.849 3.631 -2.782
C2H4 Ethylene 1.449 4.188 -2.739
C2H6 Ethane 1.601 4.226 -2.625
C2H2 Acetylene 1.020 3.487 -2.467
CHONH2 formamide 1.634 4.080 -2.446
SeF6 Selenium hexafluoride 2.889 5.320 -2.431
CHONH2 formamide 1.653 4.080 -2.426
GeF4 Germanium tetrafluoride 1.645 4.050 -2.405
O3 Ozone 0.750 3.079 -2.329
CH3NH2 methyl amine 1.434 3.754 -2.319
N2H4 Hydrazine 1.332 3.460 -2.128
HCl Hydrogen chloride 0.423 2.515 -2.091
H2CO Formaldehyde 0.890 2.770 -1.879
NO2 Nitrogen dioxide 1.098 2.910 -1.813
HCN Hydrogen cyanide 0.865 2.593 -1.728
N2O Nitrous oxide 1.342 2.998 -1.656
CH4 Methane 0.815 2.448 -1.633
CH3F Methyl fluoride 0.926 2.540 -1.614
O2 Oxygen diatomic 0.014 1.562 -1.548
BF3 Borane, trifluoro- 0.919 2.420 -1.501
NH3 Ammonia 0.642 2.103 -1.461
CO2 Carbon dioxide 1.142 2.507 -1.366
O2 Oxygen diatomic 0.239 1.562 -1.323
CO Carbon monoxide 0.678 1.953 -1.275
CO Carbon monoxide 0.715 1.953 -1.238
NO Nitric oxide 0.463 1.698 -1.235
H2O Water 0.410 1.501 -1.091
N2 Nitrogen diatomic 0.628 1.710 -1.082
F2 Fluorine diatomic 0.269 1.160 -0.892
HF Hydrogen fluoride 0.176 0.800 -0.624