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Comparison of polarizabilities for M06-2X/6-31+G**

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.979    
PBr3 Phosphorus tribromide 12.017 14.380 -2.363
CSe2 Carbon diselenide 9.090 11.269 -2.180
GeCl4 Germanium Tetrachloride 10.517 12.490 -1.974
BeH2 beryllium dihydride 2.367 4.340 -1.973
AsCl3 Arsenous trichloride 9.453 11.370 -1.918
C16H10 Pyrene 27.980 29.720 -1.740
HCCCl Chloroacetylene 4.406 6.070 -1.664
(CH3)3CC(CH3)3 tetramethylbutane 13.959 15.610 -1.650
CH2CHCHCH2 1,3-Butadiene 7.231 8.881 -1.650
P Phosphorus atom 2.169 3.630 -1.461
Cl2 Chlorine diatomic 3.155 4.610 -1.455
CCl3CHO trichloroacetaldehyde 9.130 10.500 -1.370
CH3CHBrCH3 i-propyl bromide 8.237 9.600 -1.363
C10H22 Decane 17.760 19.100 -1.339
H2Se Hydrogen selenide 3.444 4.770 -1.326
C9H20 Nonane 16.053 17.370 -1.317
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 7.198 8.401 -1.202
C6H15N triethylamine 12.195 13.380 -1.184
SiH4 Silane 3.616 4.777 -1.161
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.347 6.499 -1.153
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.865 8.000 -1.136
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.397 6.499 -1.103
CH3CH2CH2CN Butanenitrile 7.349 8.400 -1.051
H2S Hydrogen sulfide 2.615 3.631 -1.015
CH2ClCH2OH 2-Chloroethanol 5.897 6.880 -0.983
HCl Hydrogen chloride 1.560 2.515 -0.954
CHCCH2CH3 1-Butyne 6.499 7.410 -0.911
NH2CH2CH2CH3 1-Propanamine 6.796 7.700 -0.904
CH3CH2SH ethanethiol 6.482 7.380 -0.898
C3H7OC3H7 di-n-propyl ether 11.361 12.219 -0.858
C5H8O Cyclopentanone 8.422 9.250 -0.828
C6H12 hex-1-ene 10.826 11.650 -0.825
C3H7OC3H7 di-n-propyl ether 11.402 12.219 -0.817
PH3 Phosphine 3.432 4.237 -0.805
CH3CH2COOH Propanoic Acid 6.174 6.960 -0.787
C2N2 Cyanogen 4.235 5.015 -0.779
C4H10O 1-Butanol 7.800 8.570 -0.769
CH2CHCH2CH2CH3 1-pentene 8.912 9.650 -0.737
C2H2 Acetylene 2.765 3.487 -0.722
SeF6 Selenium hexafluoride 4.605 5.320 -0.715
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.367 8.049 -0.682
C4H8O2 Ethyl acetate 7.943 8.620 -0.677
C3H6 Cyclopropane 4.967 5.640 -0.673
C3H7ONO Propyl nitrite 7.833 8.500 -0.667
N2H4 Hydrazine 2.796 3.460 -0.664
C10H8 naphthalene 16.745 17.400 -0.654
C4H2 Diacetylene 6.165 6.811 -0.646
O3 Ozone 2.445 3.079 -0.635
C2H4 Ethylene 3.581 4.188 -0.607
CH3OH Methyl alcohol 2.640 3.210 -0.570
H2CO Formaldehyde 2.216 2.770 -0.553
C2H6 Ethane 3.678 4.226 -0.548
NH3 Ammonia 1.555 2.103 -0.548
SO2 Sulfur dioxide 3.347 3.882 -0.535
CH2CHCH3 Propene 5.455 5.990 -0.534
CHONH2 formamide 3.553 4.080 -0.527
CHONH2 formamide 3.555 4.080 -0.525
H2O Water 0.984 1.501 -0.518
HCN Hydrogen cyanide 2.077 2.593 -0.516
N2O Nitrous oxide 2.492 2.998 -0.506
CH3NH2 methyl amine 3.262 3.754 -0.491
NO2 Nitrogen dioxide 2.425 2.910 -0.485
C2H6 Ethane 3.742 4.226 -0.484
C3H4N2 1H-Imidazole 6.618 7.090 -0.472
BF3 Borane, trifluoro- 1.967 2.420 -0.453
CH3F Methyl fluoride 2.118 2.540 -0.422
C3H8 Propane 5.509 5.921 -0.413
CH4 Methane 2.039 2.448 -0.409
C6H4Cl2 1,3-dichlorobenzene 13.326 13.729 -0.403
H2 Hydrogen diatomic 0.386 0.787 -0.402
O2 Oxygen diatomic 1.197 1.562 -0.364
CO2 Carbon dioxide 2.151 2.507 -0.356
NO Nitric oxide 1.383 1.698 -0.316
O2 Oxygen diatomic 1.265 1.562 -0.297
CO Carbon monoxide 1.697 1.953 -0.256
HF Hydrogen fluoride 0.547 0.800 -0.254
N2 Nitrogen diatomic 1.496 1.710 -0.214
F2 Fluorine diatomic 0.971 1.160 -0.189
H2+ Hydrogen cation 0.364 0.469 -0.106
CO Carbon monoxide 1.904 1.953 -0.049
C24H12 Coronene 42.613 42.499 0.114
C10H8 Azulene 18.589 15.520 3.069