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Comparison of polarizabilities for M06-2X/cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.286    
C16H10 Pyrene 25.600 29.720 -4.120
PBr3 Phosphorus tribromide 10.290 14.380 -4.090
CSe2 Carbon diselenide 7.877 11.269 -3.392
GeCl4 Germanium Tetrachloride 9.129 12.490 -3.361
AsCl3 Arsenous trichloride 8.246 11.370 -3.124
C24H12 Coronene 39.489 42.499 -3.010
CCl3CHO trichloroacetaldehyde 7.678 10.500 -2.823
CH2CHCHCH2 1,3-Butadiene 6.367 8.881 -2.513
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.981 8.401 -2.419
C10H8 naphthalene 15.097 17.400 -2.303
CH3CHBrCH3 i-propyl bromide 7.308 9.600 -2.292
(CH3)3CC(CH3)3 tetramethylbutane 13.351 15.610 -2.259
HCCCl Chloroacetylene 3.857 6.070 -2.212
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.993 8.000 -2.007
C6H4Cl2 1,3-dichlorobenzene 11.767 13.729 -1.962
Cl2 Chlorine diatomic 2.675 4.610 -1.935
C6H15N triethylamine 11.499 13.380 -1.881
C10H22 Decane 17.219 19.100 -1.881
H2Se Hydrogen selenide 2.897 4.770 -1.873
BeH2 beryllium dihydride 2.480 4.340 -1.860
C9H20 Nonane 15.546 17.370 -1.824
CH3CH2CH2Br n-propyl bromide 7.283 9.070 -1.787
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.718 6.499 -1.781
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.759 6.499 -1.740
P Phosphorus atom 1.894 3.630 -1.736
SeF6 Selenium hexafluoride 3.612 5.320 -1.708
CH2ClCH2OH 2-Chloroethanol 5.239 6.880 -1.642
CH3CH2SH ethanethiol 5.806 7.380 -1.573
CH3CH2CH2CN Butanenitrile 6.839 8.400 -1.561
C6H12 hex-1-ene 10.128 11.650 -1.522
CHCCH2CH3 1-Butyne 5.964 7.410 -1.446
C3H4N2 1H-Imidazole 5.648 7.090 -1.442
C5H8O Cyclopentanone 7.843 9.250 -1.406
NH2CH2CH2CH3 1-Propanamine 6.300 7.700 -1.399
H2S Hydrogen sulfide 2.235 3.631 -1.395
CH3CH2COOH Propanoic Acid 5.566 6.960 -1.394
C3H7OC3H7 di-n-propyl ether 10.839 12.219 -1.380
CH2CHCH2CH2CH3 1-pentene 8.302 9.650 -1.348
C4H8O2 Ethyl acetate 7.322 8.620 -1.298
O3 Ozone 1.791 3.079 -1.289
C3H7OC3H7 di-n-propyl ether 10.949 12.219 -1.270
C2N2 Cyanogen 3.749 5.015 -1.266
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.805 8.049 -1.245
SO2 Sulfur dioxide 2.657 3.882 -1.225
HCl Hydrogen chloride 1.292 2.515 -1.223
C4H2 Diacetylene 5.589 6.811 -1.221
C4H10O 1-Butanol 7.404 8.570 -1.165
N2H4 Hydrazine 2.301 3.460 -1.159
CHONH2 formamide 2.961 4.080 -1.118
CHONH2 formamide 2.965 4.080 -1.114
C2H2 Acetylene 2.381 3.487 -1.106
NO2 Nitrogen dioxide 1.848 2.910 -1.062
CH2CHCH3 Propene 4.960 5.990 -1.029
C2H4 Ethylene 3.170 4.188 -1.018
C3H6 Cyclopropane 4.639 5.640 -1.001
N2O Nitrous oxide 2.012 2.998 -0.986
H2CO Formaldehyde 1.950 2.770 -0.819
CH3OH Methyl alcohol 2.393 3.210 -0.817
NH3 Ammonia 1.302 2.103 -0.801
CH3NH2 methyl amine 2.953 3.754 -0.800
BF3 Borane, trifluoro- 1.622 2.420 -0.798
HCN Hydrogen cyanide 1.810 2.593 -0.783
SiH4 Silane 4.001 4.777 -0.776
PH3 Phosphine 3.474 4.237 -0.762
CO2 Carbon dioxide 1.777 2.507 -0.730
O2 Oxygen diatomic 0.836 1.562 -0.726
H2O Water 0.779 1.501 -0.722
NO Nitric oxide 1.037 1.698 -0.661
C2H6 Ethane 3.570 4.226 -0.657
O2 Oxygen diatomic 0.906 1.562 -0.656
CH3F Methyl fluoride 1.907 2.540 -0.633
C3H8 Propane 5.318 5.921 -0.604
C2H6 Ethane 3.634 4.226 -0.592
F2 Fluorine diatomic 0.612 1.160 -0.548
CO Carbon monoxide 1.407 1.953 -0.546
N2 Nitrogen diatomic 1.200 1.710 -0.510
CH4 Methane 1.984 2.448 -0.464
CO Carbon monoxide 1.503 1.953 -0.450
HF Hydrogen fluoride 0.371 0.800 -0.429
H2 Hydrogen diatomic 0.460 0.787 -0.328
H2+ Hydrogen cation 0.367 0.469 -0.102
C10H8 Azulene 16.678 15.520 1.158