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Comparison of polarizabilities for MP2/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 8.751    
N2 Nitrogen diatomic -2.354 1.710 -4.064
ClF3 Chlorine trifluoride 4.242 7.483 -3.241
SiH3Cl chlorosilane 6.193 9.113 -2.921
ClF3 Chlorine trifluoride 4.620 7.483 -2.864
NO2 Nitrogen dioxide 1.361 2.910 -1.549
BeH2 beryllium dihydride 2.914 4.340 -1.426
O3 Ozone 2.231 3.079 -0.849
HCCCl Chloroacetylene 5.367 6.070 -0.703
BCl3 Borane, trichloro- 8.002 8.700 -0.698
PBr3 Phosphorus tribromide 13.754 14.380 -0.626
CH2CHCHCH2 1,3-Butadiene 8.266 8.881 -0.615
CH2Br2 dibromomethane 8.167 8.680 -0.513
PF3 Phosphorus trifluoride 3.907 4.414 -0.508
CH2Cl2 Methylene chloride 6.169 6.659 -0.490
BrCN Cyanogen bromide 5.346 5.824 -0.477
C2H3Cl Ethene, chloro- 5.955 6.410 -0.456
CH3CH2Cl Ethyl chloride 6.140 6.590 -0.449
PCl3 Phosphorus trichloride 10.219 10.634 -0.414
CH3Br methyl bromide 5.211 5.610 -0.399
AsCl3 Arsenous trichloride 10.983 11.370 -0.387
Cl2CS Thiophosgene 9.199 9.573 -0.374
H2Se Hydrogen selenide 4.399 4.770 -0.371
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.146 6.499 -0.353
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.156 6.499 -0.344
CH3CH2CH2CN Butanenitrile 8.058 8.400 -0.342
GeCl4 Germanium Tetrachloride 12.152 12.490 -0.339
C2H4S Thiirane 6.615 6.910 -0.295
Cl2 Chlorine diatomic 4.326 4.610 -0.284
CS2 Carbon disulfide 8.470 8.749 -0.279
O2 Oxygen diatomic 1.284 1.562 -0.278
AsH3 Arsine 5.190 5.468 -0.278
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.124 8.401 -0.276
NO Nitric oxide 1.437 1.698 -0.261
O2 Oxygen diatomic 1.309 1.562 -0.253
Cl Chlorine atom 1.937 2.180 -0.243
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 7.788 8.030 -0.242
CH3SCH3 Dimethyl sulfide 7.309 7.550 -0.241
Si2H6 disilane 9.187 9.410 -0.223
CCl2O Phosgene 6.567 6.790 -0.222
Ar Argon atom 1.447 1.664 -0.218
NH2CH2CH2CH3 1-Propanamine 7.505 7.700 -0.195
CH3CH2NH2 Ethylamine 5.680 5.870 -0.190
CH3CCH propyne 5.365 5.550 -0.185
CH2F2 Methane, difluoro- 2.581 2.761 -0.180
CHClCHCl Ethene, 1,2-dichloro-, (E)- 7.974 8.150 -0.176
C5H8O Cyclopentanone 9.080 9.250 -0.170
CH3Cl Methyl chloride 4.246 4.416 -0.170
C3H6 Cyclopropane 5.475 5.640 -0.165
C4H10O Methyl propyl ether 8.697 8.860 -0.163
H2CO Formaldehyde 2.607 2.770 -0.163
CH2CHCHO Acrolein 6.224 6.379 -0.155
C5H10O 3-Pentanone 9.781 9.930 -0.149
CHCCH2CH3 1-Butyne 7.261 7.410 -0.149
CH3OCH3 Dimethyl ether 5.013 5.160 -0.146
SiH4 Silane 4.632 4.777 -0.146
C2H4O Ethylene oxide 4.285 4.431 -0.146
H2S Hydrogen sulfide 3.487 3.631 -0.143
NF3 Nitrogen trifluoride 2.669 2.810 -0.141
HCl Hydrogen chloride 2.376 2.515 -0.139
CH3CH2OH Ethanol 4.975 5.112 -0.137
C2N2 Cyanogen 4.881 5.015 -0.134
H2O Water 1.379 1.501 -0.123
CF3Cl Methane, chlorotrifluoro- 4.532 4.650 -0.118
CH3CH2SH ethanethiol 7.262 7.380 -0.117
CH3CH2CHO Propanal 6.238 6.350 -0.112
B2H6 Diborane 5.005 5.115 -0.110
GeF4 Germanium tetrafluoride 3.946 4.050 -0.103
CHF3 Methane, trifluoro- 2.698 2.801 -0.103
CH3CH2COOH Propanoic Acid 6.861 6.960 -0.099
BBr3 Boron tribromide 11.252 11.351 -0.099
HCN Hydrogen cyanide 2.495 2.593 -0.099
CH3CH2CH2CH3 Butane 7.923 8.020 -0.097
CH3CCCH3 2-Butyne 7.386 7.480 -0.095
C2H4 Ethylene 4.094 4.188 -0.093
CH3CHCl2 Ethane, 1,1-dichloro- 8.069 8.161 -0.092
CH3CH2SH ethanethiol 7.289 7.380 -0.091
C2H2 Acetylene 3.397 3.487 -0.090
CH3CH(CH3)CH3 Isobutane 7.922 8.009 -0.088
Ne Neon atom 0.295 0.381 -0.086
C2H6O2S Dimethyl sulfone 8.315 8.401 -0.086
CSe2 Carbon diselenide 11.187 11.269 -0.083
F2 Fluorine diatomic 1.081 1.160 -0.080
C2H6O2 1,2-Ethanediol 5.631 5.710 -0.079
SeF6 Selenium hexafluoride 5.244 5.320 -0.076
P Phosphorus atom 3.559 3.630 -0.071
BF3 Borane, trifluoro- 2.351 2.420 -0.069
CH3OH Methyl alcohol 3.144 3.210 -0.065
CH2ClCH2Cl Ethane, 1,2-dichloro- 7.938 8.000 -0.062
HF Hydrogen fluoride 0.740 0.800 -0.061
CH2ClCH2OH 2-Chloroethanol 6.820 6.880 -0.060
C2H5CN ethyl cyanide 6.187 6.240 -0.053
H2+ Hydrogen cation 0.420 0.469 -0.049
CH3F Methyl fluoride 2.495 2.540 -0.044
CH3COOH Acetic acid 5.105 5.149 -0.044
CH3CH(CH3)CN Propanenitrile, 2-methyl- 8.006 8.049 -0.044
N2H4 Hydrazine 3.419 3.460 -0.041
C6H12 hex-1-ene 11.611 11.650 -0.039
CH2C(CH3)CH3 1-Propene, 2-methyl- 7.843 7.880 -0.037
NH3 Ammonia 2.081 2.103 -0.022
N2O Nitrous oxide 2.981 2.998 -0.016
H2 Hydrogen diatomic 0.771 0.787 -0.016
CF2Cl2 difluorodichloromethane 6.362 6.370 -0.009
CH2CHCH3 Propene 5.984 5.990 -0.006
CH3CHCHCH3 2-Butene, (E)- 7.877 7.880 -0.003
CHCl3 Chloroform 8.126 8.129 -0.003
CH2CO Ketene 4.399 4.400 -0.000
CF3CHF2 pentafluoroethane 4.625 4.623 0.001
CO Carbon monoxide 1.961 1.953 0.008
CH2CHCHO Acrolein 6.388 6.379 0.008
CH3COCH3 Acetone 6.280 6.270 0.010
HCOOH Formic acid 3.339 3.319 0.019
N2 Nitrogen diatomic 1.733 1.710 0.022
CH2CCl2 Ethene, 1,1-dichloro- 7.855 7.830 0.025
CH2CHCH2CH3 1-Butene 7.868 7.830 0.037
CH4 Methane 2.487 2.448 0.039
C4H10O 1-Butanol 8.611 8.570 0.042
C2H6 Ethane 4.272 4.226 0.046
CH3NO2 Methane, nitro- 4.860 4.800 0.060
CH3OCHO methyl formate 5.110 5.050 0.060
CCl4 Carbon tetrachloride 10.063 10.002 0.060
C4H4O Furan 7.295 7.230 0.065
C10H22 Decane 19.169 19.100 0.069
C3H7OH 1-Propanol 6.747 6.670 0.077
CH3CN Acetonitrile 4.361 4.280 0.081
HCOOH Formic acid 3.402 3.319 0.082
C2F6 hexafluoroethane 4.750 4.668 0.083
CH3NH2 methyl amine 3.841 3.754 0.087
CO Carbon monoxide 2.047 1.953 0.094
CHONH2 formamide 4.176 4.080 0.096
CHONH2 formamide 4.176 4.080 0.097
OCS Carbonyl sulfide 5.187 5.090 0.097
HCOOC2H5 Ethyl formate 6.979 6.880 0.099
CH3CHOHCH3 Isopropyl alcohol 6.797 6.670 0.127
CO2 Carbon dioxide 2.638 2.507 0.131
CH3SOCH3 Dimethyl sulfoxide 8.103 7.969 0.134
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.146 8.000 0.145
C4H8O2 Ethyl acetate 8.786 8.620 0.167
C3H8 Propane 6.090 5.921 0.169
SO2 Sulfur dioxide 4.055 3.882 0.173
CH3SH Methanethiol 5.379 5.186 0.192
SF6 Sulfur Hexafluoride 4.685 4.490 0.195
C6H5CHO benzaldehyde 13.004 12.800 0.204
C3H6O3 1,3,5-Trioxane 7.232 7.020 0.213
CH3CHO Acetaldehyde 4.503 4.278 0.224
C6H5F Fluorobenzene 10.429 10.200 0.229
PH3 Phosphine 4.483 4.237 0.247
F2SO Thionyl Fluoride 4.181 3.927 0.254
CH3CONH2 Acetamide 5.924 5.670 0.254
CH3NHCH3 Dimethylamine 5.703 5.447 0.256
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 18.144 17.886 0.258
C3H4N2 1H-Imidazole 7.371 7.090 0.281
GeH4 Germane 5.073 4.770 0.302
C4H5N Pyrrole 8.247 7.940 0.307
PF5 Phosphorus pentafluoride 3.973 3.650 0.324
CH2CCH2 allene 6.025 5.690 0.335
SO3 Sulfur trioxide 4.662 4.297 0.364
C4H2 Diacetylene 7.218 6.811 0.408
C4H2 Diacetylene 7.223 6.811 0.412
C6H6 Benzene 10.465 9.959 0.505
C3F6 hexafluoropropene 6.345 5.838 0.507
N(CH3)3 Trimethylamine 7.649 7.076 0.573
As4 Arsenic tetramer 17.868 17.293 0.575
P4 Phosphorus tetramer 14.199 13.589 0.610
C10H8 naphthalene 18.124 17.400 0.724
C6H4Cl2 1,3-dichlorobenzene 14.701 13.729 0.972
C10H8 Azulene 20.086 15.520 4.566