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Comparison of polarizabilities for MP2/6-311G**

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.428    
N2 Nitrogen diatomic -3.787 1.710 -5.497
ClF3 Chlorine trifluoride 2.947 7.483 -4.536
SiH3Cl chlorosilane 4.689 9.113 -4.424
ClF3 Chlorine trifluoride 3.184 7.483 -4.299
PBr3 Phosphorus tribromide 10.454 14.380 -3.925
C16H10 Pyrene 25.935 29.720 -3.785
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 14.565 17.886 -3.321
CH2Br2 dibromomethane 5.885 8.680 -2.795
CCl4 Carbon tetrachloride 7.239 10.002 -2.764
AsCl3 Arsenous trichloride 8.616 11.370 -2.755
GeCl4 Germanium Tetrachloride 9.739 12.490 -2.752
CCl3CHO trichloroacetaldehyde 7.776 10.500 -2.725
Cl2CS Thiophosgene 6.881 9.573 -2.692
BBr3 Boron tribromide 8.792 11.351 -2.559
BCl3 Borane, trichloro- 6.194 8.700 -2.506
CHCl3 Chloroform 5.759 8.129 -2.370
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.063 8.401 -2.337
CH2Cl2 Methylene chloride 4.332 6.659 -2.327
Br2 Bromine diatomic 4.159 6.431 -2.273
HCCCl Chloroacetylene 3.803 6.070 -2.267
CS2 Carbon disulfide 6.547 8.749 -2.201
(CH3)3CC(CH3)3 tetramethylbutane 13.430 15.610 -2.180
CH3CHBrCH3 i-propyl bromide 7.449 9.600 -2.151
CSe2 Carbon diselenide 9.207 11.269 -2.062
Cl2 Chlorine diatomic 2.559 4.610 -2.051
NO2 Nitrogen dioxide 0.875 2.910 -2.035
C10H8 naphthalene 15.387 17.400 -2.013
CF2Cl2 difluorodichloromethane 4.382 6.370 -1.988
C6H5CHO benzaldehyde 10.826 12.800 -1.974
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.044 8.000 -1.956
P Phosphorus atom 1.674 3.630 -1.956
BrCN Cyanogen bromide 3.881 5.824 -1.943
BeH2 beryllium dihydride 2.423 4.340 -1.918
C10H22 Decane 17.246 19.100 -1.853
CH3Br methyl bromide 3.759 5.610 -1.851
C9H20 Nonane 15.521 17.370 -1.850
C6H4Cl2 1,3-dichlorobenzene 11.914 13.729 -1.816
C6H15N triethylamine 11.615 13.380 -1.765
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.759 6.499 -1.741
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.779 6.499 -1.721
HBr hydrogen bromide 1.914 3.616 -1.702
CH3SCH3 Dimethyl sulfide 5.852 7.550 -1.698
C2H4S Thiirane 5.226 6.910 -1.684
CH3CH2CH2Br n-propyl bromide 7.390 9.070 -1.680
O3 Ozone 1.399 3.079 -1.680
C2H5Br Ethyl bromide 5.627 7.280 -1.654
C2H6O2S Dimethyl sulfone 6.766 8.401 -1.635
H2Se Hydrogen selenide 3.140 4.770 -1.630
Si2H6 disilane 7.798 9.410 -1.612
CF3Cl Methane, chlorotrifluoro- 3.047 4.650 -1.603
CH2ClCH2OH 2-Chloroethanol 5.304 6.880 -1.576
C6H12 hex-1-ene 10.076 11.650 -1.574
CH3CH2SH ethanethiol 5.851 7.380 -1.529
CH3CH2CH2CN Butanenitrile 6.899 8.400 -1.501
Cl Chlorine atom 0.702 2.180 -1.478
CHCCH2CH3 1-Butyne 5.935 7.410 -1.475
CH3CH2SH ethanethiol 5.931 7.380 -1.449
C4H5N Pyrrole 6.501 7.940 -1.439
C4H4O Furan 5.804 7.230 -1.426
C5H10O 3-Pentanone 8.532 9.930 -1.398
CH2CHCHO Acrolein 4.987 6.379 -1.393
CH3Cl Methyl chloride 3.036 4.416 -1.380
CH3CCH propyne 4.181 5.550 -1.369
H2S Hydrogen sulfide 2.267 3.631 -1.364
C4H2 Diacetylene 5.455 6.811 -1.355
C4H10O Methyl propyl ether 7.515 8.860 -1.345
CH3SOCH3 Dimethyl sulfoxide 6.629 7.969 -1.340
C6H6 Benzene 8.631 9.959 -1.329
SF6 Sulfur Hexafluoride 3.171 4.490 -1.319
NH2CH2CH2CH3 1-Propanamine 6.387 7.700 -1.313
OCS Carbonyl sulfide 3.781 5.090 -1.309
C5H8O Cyclopentanone 7.959 9.250 -1.290
SeF6 Selenium hexafluoride 4.041 5.320 -1.279
CF3CHF2 pentafluoroethane 3.352 4.623 -1.271
CH2CHCHO Acrolein 5.113 6.379 -1.267
C3H4N2 1H-Imidazole 5.826 7.090 -1.264
As4 Arsenic tetramer 16.031 17.293 -1.262
GeF4 Germanium tetrafluoride 2.793 4.050 -1.257
C3H7OC3H7 di-n-propyl ether 10.967 12.219 -1.252
CH3CH2COOH Propanoic Acid 5.717 6.960 -1.244
HCl Hydrogen chloride 1.291 2.515 -1.224
AsH3 Arsine 4.257 5.468 -1.211
C5H10 Cyclopentane 7.978 9.170 -1.192
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.873 8.049 -1.176
C2N2 Cyanogen 3.839 5.015 -1.176
CH2CHCH2CH3 1-Butene 6.659 7.830 -1.171
C3H7ONO Propyl nitrite 7.357 8.500 -1.142
C4H8O2 Ethyl acetate 7.480 8.620 -1.140
CH3SH Methanethiol 4.060 5.186 -1.126
C4H10O 1-Butanol 7.443 8.570 -1.126
SiH4 Silane 3.656 4.777 -1.121
C2H2 Acetylene 2.373 3.487 -1.113
C3H6O3 1,3,5-Trioxane 5.930 7.020 -1.089
C3F6 hexafluoropropene 4.754 5.838 -1.084
CH2CO Ketene 3.318 4.400 -1.081
CH2CHCH3 Propene 4.925 5.990 -1.065
HCOOC2H5 Ethyl formate 5.824 6.880 -1.057
NF3 Nitrogen trifluoride 1.753 2.810 -1.056
CH3CH2CHO Propanal 5.294 6.350 -1.055
N2H4 Hydrazine 2.410 3.460 -1.050
B Boron atom 1.981 3.030 -1.049
C2H5CN ethyl cyanide 5.196 6.240 -1.044
CH3OCH3 Dimethyl ether 4.119 5.160 -1.041
C2H4 Ethylene 3.167 4.188 -1.021
CH3CH2CH2CH3 Butane 7.009 8.020 -1.010
PF5 Phosphorus pentafluoride 2.651 3.650 -0.999
CH3CH(CH3)CH3 Isobutane 7.018 8.009 -0.992
CH3CH2OH Ethanol 4.124 5.112 -0.989
CH3NO2 Methane, nitro- 3.828 4.800 -0.972
SO2 Sulfur dioxide 2.933 3.882 -0.950
CH3COCH3 Acetone 5.320 6.270 -0.949
F2SO Thionyl Fluoride 2.979 3.927 -0.948
CH2CCH2 allene 4.748 5.690 -0.942
CHONH2 formamide 3.140 4.080 -0.939
C3H6 Cyclopropane 4.711 5.640 -0.929
CHF3 Methane, trifluoro- 1.873 2.801 -0.928
CHONH2 formamide 3.152 4.080 -0.928
C2H4O Ethylene oxide 3.519 4.431 -0.912
C3H7OH 1-Propanol 5.762 6.670 -0.908
CH2F2 Methane, difluoro- 1.881 2.761 -0.880
PH3 Phosphine 3.403 4.237 -0.834
SO3 Sulfur trioxide 3.466 4.297 -0.831
O2 Oxygen diatomic 0.754 1.562 -0.808
O2 Oxygen diatomic 0.755 1.562 -0.807
HCOOH Formic acid 2.514 3.319 -0.805
NO Nitric oxide 0.911 1.698 -0.787
N2O Nitrous oxide 2.215 2.998 -0.783
CH3OH Methyl alcohol 2.429 3.210 -0.781
H2CO Formaldehyde 1.991 2.770 -0.779
HCOOH Formic acid 2.546 3.319 -0.773
CH3CN Acetonitrile 3.524 4.280 -0.755
HCN Hydrogen cyanide 1.840 2.593 -0.753
CH3NH2 methyl amine 3.004 3.754 -0.749
NH3 Ammonia 1.380 2.103 -0.723
H2O Water 0.852 1.501 -0.649
CH3F Methyl fluoride 1.919 2.540 -0.620
B2H6 Diborane 4.508 5.115 -0.608
C3H8 Propane 5.337 5.921 -0.585
CO Carbon monoxide 1.370 1.953 -0.583
F2 Fluorine diatomic 0.593 1.160 -0.567
CH3CHO Acetaldehyde 3.711 4.278 -0.567
C2H6 Ethane 3.660 4.226 -0.566
CO2 Carbon dioxide 1.963 2.507 -0.545
CH4 Methane 1.982 2.448 -0.466
N2 Nitrogen diatomic 1.257 1.710 -0.453
CO Carbon monoxide 1.524 1.953 -0.429
GeH4 Germane 4.346 4.770 -0.424
HF Hydrogen fluoride 0.397 0.800 -0.403
H2 Hydrogen diatomic 0.427 0.787 -0.360
H2+ Hydrogen cation 0.323 0.469 -0.147
Be Beryllium atom 6.000 5.600 0.400
C10H8 Azulene 17.108 15.520 1.588
Li Lithium atom 26.024 24.330 1.694
Na Sodium atom 407.990 24.110 383.880