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Comparison of polarizabilities for LSDA/6-31+G**

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 8.550    
CH2ClCH2CH3 Propane, 1-chloro- 7.402 10.000 -2.598
CH2ClCH2CH3 Propane, 1-chloro- 7.433 10.000 -2.567
CSe2 Carbon diselenide 9.143 11.269 -2.127
BeH2 beryllium dihydride 2.678 4.340 -1.662
PBr3 Phosphorus tribromide 12.749 14.380 -1.631
PCl3 Phosphorus trichloride 9.010 10.634 -1.624
BCl3 Borane, trichloro- 7.126 8.700 -1.574
AsCl3 Arsenous trichloride 9.848 11.370 -1.522
Cl2 Chlorine diatomic 3.145 4.610 -1.465
HCCCl Chloroacetylene 4.624 6.070 -1.446
GeCl4 Germanium Tetrachloride 11.165 12.490 -1.326
SiCl4 Silane, tetrachloro- 10.037 11.269 -1.232
CH2CHCHCH2 1,3-Butadiene 7.657 8.881 -1.224
H2Se Hydrogen selenide 3.560 4.770 -1.210
Br2 Bromine diatomic 5.265 6.431 -1.167
C2H3Br vinyl bromide 6.520 7.590 -1.070
HBr hydrogen bromide 2.584 3.616 -1.032
C2H4S Thiirane 5.934 6.910 -0.976
BrCN Cyanogen bromide 4.852 5.824 -0.972
H2S Hydrogen sulfide 2.688 3.631 -0.942
HCl Hydrogen chloride 1.611 2.515 -0.903
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.608 6.499 -0.891
Si2H6 disilane 8.539 9.410 -0.871
SiH4 Silane 3.930 4.777 -0.848
OCS Carbonyl sulfide 4.249 5.090 -0.841
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.691 6.499 -0.808
CH2ClCH2Cl Ethane, 1,2-dichloro- 7.194 8.000 -0.807
(CH3)3CC(CH3)3 tetramethylbutane 14.817 15.610 -0.792
C5H11Cl Pentane, 1-chloro- 11.214 12.000 -0.786
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 7.645 8.401 -0.756
CH3CH2SH ethanethiol 6.648 7.380 -0.731
CH2FCl fluorochloromethane 3.815 4.509 -0.695
CH2ClCH2OH 2-Chloroethanol 6.200 6.880 -0.681
PH3 Phosphine 3.564 4.237 -0.673
PF3 Phosphorus trifluoride 3.748 4.414 -0.666
CH3CH2SH ethanethiol 6.781 7.380 -0.598
O3 Ozone 2.493 3.079 -0.586
C5H12 Propane, 2,2-dimethyl- 9.658 10.240 -0.582
CH3CH2CH2CN Butanenitrile 7.818 8.400 -0.582
CH2CO Ketene 3.857 4.400 -0.543
CHCCH2CH3 1-Butyne 6.923 7.410 -0.487
C5H10 Cyclopentane 8.721 9.170 -0.449
C2N2 Cyanogen 4.584 5.015 -0.431
H2O Water 1.083 1.501 -0.418
NH2CH2CH2CH3 1-Propanamine 7.283 7.700 -0.416
NH3 Ammonia 1.690 2.103 -0.413
HCN Hydrogen cyanide 2.181 2.593 -0.412
C9H20 Nonane 16.966 17.370 -0.405
CH3OH Methyl alcohol 2.810 3.210 -0.400
C2H6 Ethane 3.831 4.226 -0.396
HD Deuterium hydride 0.396 0.791 -0.395
H2 Hydrogen diatomic 0.396 0.787 -0.391
N2O Nitrous oxide 2.607 2.998 -0.390
D2 Deuterium diatomic 0.396 0.783 -0.387
NO2 Nitrogen dioxide 2.524 2.910 -0.386
C5H12O Propane, 1-ethoxy- 10.302 10.680 -0.378
C5H10 2-Pentene, (E)- 9.467 9.839 -0.372
CH3CCCH3 2-Butyne 7.143 7.480 -0.337
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 9.558 9.879 -0.321
CH3CH2COOH Propanoic Acid 6.640 6.960 -0.321
C2H6 Ethane 3.907 4.226 -0.319
SO2 Sulfur dioxide 3.577 3.882 -0.306
CH3F Methyl fluoride 2.240 2.540 -0.300
C5H8O Cyclopentanone 8.961 9.250 -0.288
C4H10O 1-Butanol 8.294 8.570 -0.276
O2 Oxygen diatomic 1.294 1.562 -0.268
C10H22 Decane 18.846 19.100 -0.254
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.826 8.049 -0.223
C6H5F Fluorobenzene 9.979 10.200 -0.221
BF3 Borane, trifluoro- 2.204 2.420 -0.216
HF Hydrogen fluoride 0.596 0.800 -0.204
C6H12 hex-1-ene 11.463 11.650 -0.187
NF3 Nitrogen trifluoride 2.630 2.810 -0.179
C6H10 1-Hexyne 10.726 10.900 -0.174
F2 Fluorine diatomic 0.990 1.160 -0.170
C4H2 Diacetylene 6.644 6.811 -0.166
C4H6O2 2,3-Butanedione 8.045 8.201 -0.156
CH3CHCHCH3 2-Butene, (E)- 7.728 7.880 -0.153
CHONH2 formamide 3.927 4.080 -0.152
CHONH2 formamide 3.928 4.080 -0.152
C4H5N Pyrrole 7.789 7.940 -0.151
C4H10O 2-Butanol, (.+/-.)- 8.419 8.570 -0.150
C6H15N triethylamine 13.241 13.380 -0.139
C16H10 Pyrene 29.585 29.720 -0.135
CO Carbon monoxide 1.820 1.953 -0.133
H2+ Hydrogen cation 0.341 0.469 -0.129
CH2CCH2 allene 5.563 5.690 -0.127
C3H8 Propane 5.795 5.921 -0.127
CH3CF3 Ethane, 1,1,1-trifluoro- 4.275 4.400 -0.124
N2 Nitrogen diatomic 1.589 1.710 -0.122
FCN Cyanogen fluoride 2.438 2.550 -0.112
C4H8O2 Ethyl acetate 8.509 8.620 -0.111
C3H7OC3H7 di-n-propyl ether 12.115 12.219 -0.104
C3H7OC3H7 di-n-propyl ether 12.133 12.219 -0.086
C3H4N2 1H-Imidazole 7.014 7.090 -0.076
C4H4O2 2-Oxetanone, 4-methylene- 7.929 8.000 -0.071
SiF4 Silicon tetrafluoride 3.249 3.319 -0.071
SeF6 Selenium hexafluoride 5.272 5.320 -0.048
GeF4 Germanium tetrafluoride 4.016 4.050 -0.034
CHOCHCHCH3 2-Butenal 8.480 8.500 -0.019
C3H7ONO Propyl nitrite 8.497 8.500 -0.003
SF6 Sulfur Hexafluoride 4.488 4.490 -0.002
C3H7ONO Propyl nitrite 8.551 8.500 0.051
C4H5N (E)-2-Butenenitrile 8.306 8.201 0.106
C5H9N Propanenitrile, 2,2-dimethyl- 9.706 9.591 0.115
PF5 Phosphorus pentafluoride 3.827 3.650 0.177
C6H4Cl2 1,3-dichlorobenzene 13.949 13.729 0.220
Be Beryllium atom 6.397 5.600 0.797
B3N3H6 borazine 9.073 8.000 1.072
C24H12 Coronene 45.493 42.499 2.993
C10H8 Azulene 19.090 15.520 3.570
MgO magnesium oxide 7.060 1.750 5.309
CaO Calcium monoxide 11.334 2.841 8.493