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Comparison of polarizabilities for MP2=FULL/6-31G

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 6.922    
C16H10 Pyrene 23.946 29.720 -5.774
O2 Oxygen diatomic -3.886 1.562 -5.448
PBr3 Phosphorus tribromide 10.356 14.380 -4.024
C2F6 hexafluoroethane 3.192 6.819 -3.628
(CH3)3CC(CH3)3 tetramethylbutane 12.188 15.610 -3.422
C10H8 naphthalene 14.058 17.400 -3.341
C10H22 Decane 15.818 19.100 -3.282
CSe2 Carbon diselenide 7.994 11.269 -3.276
CCl3CHO trichloroacetaldehyde 7.359 10.500 -3.141
C9H20 Nonane 14.231 17.370 -3.140
CH3CHBrCH3 i-propyl bromide 6.475 9.600 -3.125
GeCl4 Germanium Tetrachloride 9.428 12.490 -3.062
HCCCl Chloroacetylene 3.237 6.070 -2.833
C6H15N triethylamine 10.547 13.380 -2.832
C6H4Cl2 1,3-dichlorobenzene 10.957 13.729 -2.772
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.705 8.401 -2.695
CH3CH2CH2Br n-propyl bromide 6.467 9.070 -2.603
C6H12 hex-1-ene 9.149 11.650 -2.501
AsCl3 Arsenous trichloride 8.896 11.370 -2.474
H2Se Hydrogen selenide 2.394 4.770 -2.376
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.630 8.000 -2.370
C6H5F Fluorobenzene 7.864 10.200 -2.336
BeH2 beryllium dihydride 2.068 4.340 -2.272
C4H2 Diacetylene 4.593 6.811 -2.217
C4H2 Diacetylene 4.632 6.811 -2.179
CHCCH2CH3 1-Butyne 5.284 7.410 -2.126
C3H7OC3H7 di-n-propyl ether 10.172 12.219 -2.047
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.453 6.499 -2.046
Cl2 Chlorine diatomic 2.564 4.610 -2.046
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.454 6.499 -2.046
CH3CH2CH2CN Butanenitrile 6.371 8.400 -2.029
NH2CH2CH2CH3 1-Propanamine 5.757 7.700 -1.943
CH2ClCH2OH 2-Chloroethanol 4.939 6.880 -1.941
CH3CH2SH ethanethiol 5.498 7.380 -1.881
C5H8O Cyclopentanone 7.410 9.250 -1.839
Li Lithium atom 22.502 24.330 -1.828
C3H4N2 1H-Imidazole 5.276 7.090 -1.814
C4H10O 1-Butanol 6.849 8.570 -1.721
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.336 8.049 -1.714
NO2 Nitrogen dioxide 1.243 2.910 -1.667
CH3CH2COOH Propanoic Acid 5.332 6.960 -1.628
P Phosphorus atom 2.007 3.630 -1.623
C3H7NO dimethylformamide 6.193 7.809 -1.616
C4H8O2 Ethyl acetate 7.065 8.620 -1.555
H2S Hydrogen sulfide 2.094 3.631 -1.536
C2H2 Acetylene 1.960 3.487 -1.527
O3 Ozone 1.569 3.079 -1.510
HCl Hydrogen chloride 1.017 2.515 -1.497
C2N2 Cyanogen 3.527 5.015 -1.487
C3H7ONO Propyl nitrite 7.047 8.500 -1.452
N2H4 Hydrazine 2.011 3.460 -1.449
GeF4 Germanium tetrafluoride 2.606 4.050 -1.444
SiH4 Silane 3.344 4.777 -1.434
Ar Argon atom 0.237 1.664 -1.427
C2H4 Ethylene 2.782 4.188 -1.406
NO Nitric oxide 0.333 1.698 -1.366
C3H6 Cyclopropane 4.305 5.640 -1.335
SeF6 Selenium hexafluoride 4.042 5.320 -1.278
C6F6 hexafluorobenzene 8.364 9.580 -1.216
CHONH2 formamide 2.873 4.080 -1.207
CHONH2 formamide 2.873 4.080 -1.207
PH3 Phosphine 3.094 4.237 -1.142
CH3NH2 methyl amine 2.665 3.754 -1.089
NH3 Ammonia 1.015 2.103 -1.088
C3H8 Propane 4.861 5.921 -1.061
H2CO Formaldehyde 1.810 2.770 -0.960
HCN Hydrogen cyanide 1.644 2.593 -0.949
C2H6 Ethane 3.337 4.226 -0.889
H2O Water 0.647 1.501 -0.854
N2O Nitrous oxide 2.227 2.998 -0.771
CH3F Methyl fluoride 1.772 2.540 -0.768
Be Beryllium atom 4.875 5.600 -0.725
SO2 Sulfur dioxide 3.206 3.882 -0.677
F2 Fluorine diatomic 0.500 1.160 -0.660
CH4 Methane 1.796 2.448 -0.652
HF Hydrogen fluoride 0.280 0.800 -0.521
CO2 Carbon dioxide 1.990 2.507 -0.517
N2 Nitrogen diatomic 1.198 1.710 -0.512
CO Carbon monoxide 1.450 1.953 -0.503
CO Carbon monoxide 1.496 1.953 -0.457
Ne Neon atom 0.035 0.381 -0.346
SF6 Sulfur Hexafluoride 4.235 4.490 -0.255
C10H8 Azulene 15.960 15.520 0.440