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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 7.310    
C16H10 Pyrene 25.653 29.720 -4.067
PBr3 Phosphorus tribromide 10.633 14.380 -3.747
C24H12 Coronene 39.531 42.499 -2.969
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
CH2CHCHCH2 1,3-Butadiene 6.396 8.881 -2.485
CCl3CHO trichloroacetaldehyde 8.018 10.500 -2.482
(CH3)3CC(CH3)3 tetramethylbutane 13.275 15.610 -2.334
C10H8 naphthalene 15.142 17.400 -2.258
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.205 8.401 -2.195
HCCCl Chloroacetylene 3.922 6.070 -2.147
CH3CHBrCH3 i-propyl bromide 7.476 9.600 -2.124
C10H22 Decane 17.066 19.100 -2.034
Cl2 Chlorine diatomic 2.640 4.610 -1.970
C9H20 Nonane 15.407 17.370 -1.963
C6H15N triethylamine 11.457 13.380 -1.923
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.152 8.000 -1.849
BeH2 beryllium dihydride 2.513 4.340 -1.828
P Phosphorus atom 1.817 3.630 -1.813
C6H4Cl2 1,3-dichlorobenzene 12.024 13.729 -1.705
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.801 6.499 -1.698
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.829 6.499 -1.671
CH3CH2CH2Br n-propyl bromide 7.400 9.070 -1.669
H2Se Hydrogen selenide 3.139 4.770 -1.631
C6H12 hex-1-ene 10.080 11.650 -1.570
CH2ClCH2OH 2-Chloroethanol 5.327 6.880 -1.553
CH3CH2CH2CN Butanenitrile 6.863 8.400 -1.537
C3H7OC3H7 di-n-propyl ether 10.752 12.219 -1.467
CHCCH2CH3 1-Butyne 5.963 7.410 -1.447
CH3CH2SH ethanethiol 5.954 7.380 -1.426
H2S Hydrogen sulfide 2.228 3.631 -1.403
NH2CH2CH2CH3 1-Propanamine 6.306 7.700 -1.394
SeF6 Selenium hexafluoride 3.926 5.320 -1.394
C5H8O Cyclopentanone 7.856 9.250 -1.393
CH2CHCH2CH2CH3 1-pentene 8.271 9.650 -1.379
C3H7ONO Propyl nitrite 7.143 8.500 -1.357
C3H7OC3H7 di-n-propyl ether 10.865 12.219 -1.355
CH3CH2COOH Propanoic Acid 5.611 6.960 -1.349
C3H4N2 1H-Imidazole 5.759 7.090 -1.330
C4H8O2 Ethyl acetate 7.342 8.620 -1.278
HCl Hydrogen chloride 1.284 2.515 -1.231
C4H2 Diacetylene 5.596 6.811 -1.214
C4H10O 1-Butanol 7.362 8.570 -1.207
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.844 8.049 -1.206
O3 Ozone 1.897 3.079 -1.182
C2N2 Cyanogen 3.873 5.015 -1.141
N2H4 Hydrazine 2.345 3.460 -1.115
SiH4 Silane 3.665 4.777 -1.112
C2H2 Acetylene 2.406 3.487 -1.081
SO2 Sulfur dioxide 2.802 3.882 -1.081
CHONH2 formamide 3.016 4.080 -1.063
CHONH2 formamide 3.020 4.080 -1.059
CH2CHCH3 Propene 4.953 5.990 -1.037
C2H4 Ethylene 3.176 4.188 -1.011
C3H6 Cyclopropane 4.665 5.640 -0.975
NO2 Nitrogen dioxide 1.943 2.910 -0.967
N2O Nitrous oxide 2.102 2.998 -0.895
PH3 Phosphine 3.365 4.237 -0.872
CH3OH Methyl alcohol 2.368 3.210 -0.841
H2CO Formaldehyde 1.947 2.770 -0.823
CH3NH2 methyl amine 2.938 3.754 -0.816
NH3 Ammonia 1.306 2.103 -0.797
BF3 Borane, trifluoro- 1.639 2.420 -0.781
HCN Hydrogen cyanide 1.852 2.593 -0.741
H2O Water 0.783 1.501 -0.718
C2H6 Ethane 3.526 4.226 -0.700
O2 Oxygen diatomic 0.886 1.562 -0.676
CO2 Carbon dioxide 1.835 2.507 -0.672
CH3F Methyl fluoride 1.878 2.540 -0.662
C3H8 Propane 5.269 5.921 -0.652
C2H6 Ethane 3.592 4.226 -0.634
NO Nitric oxide 1.096 1.698 -0.603
O2 Oxygen diatomic 0.965 1.562 -0.597
F2 Fluorine diatomic 0.646 1.160 -0.514
CH4 Methane 1.943 2.448 -0.505
CO Carbon monoxide 1.479 1.953 -0.474
N2 Nitrogen diatomic 1.265 1.710 -0.445
HF Hydrogen fluoride 0.362 0.800 -0.438
CO Carbon monoxide 1.563 1.953 -0.390
C10H8 Azulene 16.751 15.520 1.231