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Comparison of polarizabilities for MP2=FULL/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 8.732    
N2 Nitrogen diatomic -2.436 1.710 -4.146
ClF3 Chlorine trifluoride 4.232 7.483 -3.252
SiH3Cl chlorosilane 6.175 9.113 -2.938
ClF3 Chlorine trifluoride 4.614 7.483 -2.870
NO2 Nitrogen dioxide 1.237 2.910 -1.673
BeH2 beryllium dihydride 2.909 4.340 -1.432
O3 Ozone 2.231 3.079 -0.848
HCCCl Chloroacetylene 5.362 6.070 -0.708
BCl3 Borane, trichloro- 7.999 8.700 -0.701
PBr3 Phosphorus tribromide 13.748 14.380 -0.632
CH2Br2 dibromomethane 8.162 8.680 -0.518
CH2Cl2 Methylene chloride 6.163 6.659 -0.496
BrCN Cyanogen bromide 5.344 5.824 -0.479
CH3Br methyl bromide 5.207 5.610 -0.403
AsCl3 Arsenous trichloride 10.970 11.370 -0.400
Cl2CS Thiophosgene 9.194 9.573 -0.379
H2Se Hydrogen selenide 4.398 4.770 -0.372
GeCl4 Germanium Tetrachloride 12.125 12.490 -0.366
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.136 6.499 -0.363
CH3CH2CH2CN Butanenitrile 8.041 8.400 -0.359
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.146 6.499 -0.354
C2H4S Thiirane 6.601 6.910 -0.309
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.113 8.401 -0.288
CS2 Carbon disulfide 8.462 8.749 -0.287
AsH3 Arsine 5.185 5.468 -0.283
Cl2 Chlorine diatomic 4.329 4.610 -0.281
O2 Oxygen diatomic 1.285 1.562 -0.277
Si2H6 disilane 9.150 9.410 -0.260
NO Nitric oxide 1.441 1.698 -0.257
CH3SCH3 Dimethyl sulfide 7.296 7.550 -0.254
O2 Oxygen diatomic 1.309 1.562 -0.253
NH2CH2CH2CH3 1-Propanamine 7.487 7.700 -0.212
CH3CCH propyne 5.353 5.550 -0.197
C5H8O Cyclopentanone 9.058 9.250 -0.192
CH2F2 Methane, difluoro- 2.577 2.761 -0.184
C4H10O Methyl propyl ether 8.676 8.860 -0.184
Br2 Bromine diatomic 6.251 6.431 -0.180
C3H6 Cyclopropane 5.462 5.640 -0.178
CH3Cl Methyl chloride 4.241 4.416 -0.175
C5H10O 3-Pentanone 9.757 9.930 -0.173
CH2CHCHO Acrolein 6.212 6.379 -0.167
H2CO Formaldehyde 2.603 2.770 -0.166
CHCCH2CH3 1-Butyne 7.246 7.410 -0.164
SiH4 Silane 4.614 4.777 -0.164
CH3OCH3 Dimethyl ether 5.003 5.160 -0.157
C2H4O Ethylene oxide 4.276 4.431 -0.155
CH3CH2OH Ethanol 4.965 5.112 -0.147
H2S Hydrogen sulfide 3.485 3.631 -0.146
NF3 Nitrogen trifluoride 2.666 2.810 -0.144
C2N2 Cyanogen 4.873 5.015 -0.141
HCl Hydrogen chloride 2.375 2.515 -0.139
CH3CH2SH ethanethiol 7.249 7.380 -0.131
C2H5Br Ethyl bromide 7.154 7.280 -0.126
CH3CH2CHO Propanal 6.225 6.350 -0.125
H2O Water 1.377 1.501 -0.124
B2H6 Diborane 4.992 5.115 -0.124
CF3Cl Methane, chlorotrifluoro- 4.526 4.650 -0.124
CH3CH2CH2CH3 Butane 7.903 8.020 -0.116
CH3CH2COOH Propanoic Acid 6.847 6.960 -0.114
GeF4 Germanium tetrafluoride 3.937 4.050 -0.113
C2H6O2S Dimethyl sulfone 8.288 8.401 -0.113
CHF3 Methane, trifluoro- 2.694 2.801 -0.107
SeF6 Selenium hexafluoride 5.214 5.320 -0.106
CH3CH2SH ethanethiol 7.275 7.380 -0.105
HCN Hydrogen cyanide 2.491 2.593 -0.102
C2H4 Ethylene 4.086 4.188 -0.101
BBr3 Boron tribromide 11.251 11.351 -0.100
C2H2 Acetylene 3.392 3.487 -0.095
CSe2 Carbon diselenide 11.179 11.269 -0.091
Ne Neon atom 0.295 0.381 -0.086
F2 Fluorine diatomic 1.081 1.160 -0.080
CH2ClCH2Cl Ethane, 1,2-dichloro- 7.927 8.000 -0.073
CH2ClCH2OH 2-Chloroethanol 6.808 6.880 -0.072
CH3OH Methyl alcohol 3.139 3.210 -0.071
P Phosphorus atom 3.562 3.630 -0.068
C6H12 hex-1-ene 11.582 11.650 -0.068
C2H5CN ethyl cyanide 6.175 6.240 -0.065
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.988 8.049 -0.061
HF Hydrogen fluoride 0.739 0.800 -0.061
CH3F Methyl fluoride 2.491 2.540 -0.049
N2H4 Hydrazine 3.414 3.460 -0.046
NH3 Ammonia 2.078 2.103 -0.025
N2O Nitrous oxide 2.978 2.998 -0.020
CH2CHCH3 Propene 5.971 5.990 -0.019
CF2Cl2 difluorodichloromethane 6.355 6.370 -0.016
H2 Hydrogen diatomic 0.772 0.787 -0.016
CHCl3 Chloroform 8.119 8.129 -0.011
CH2CO Ketene 4.392 4.400 -0.008
CF3CHF2 pentafluoroethane 4.616 4.623 -0.007
CH3COCH3 Acetone 6.266 6.270 -0.003
CH2CHCHO Acrolein 6.376 6.379 -0.003
CO Carbon monoxide 1.959 1.953 0.006
HCOOH Formic acid 3.335 3.319 0.015
C10H22 Decane 19.115 19.100 0.016
CH2CHCH2CH3 1-Butene 7.849 7.830 0.019
C4H10O 1-Butanol 8.591 8.570 0.021
N2 Nitrogen diatomic 1.731 1.710 0.021
CH4 Methane 2.482 2.448 0.034
C2H6 Ethane 4.262 4.226 0.036
C4H4O Furan 7.279 7.230 0.049
CH3NO2 Methane, nitro- 4.851 4.800 0.051
CCl4 Carbon tetrachloride 10.054 10.002 0.051
C3H7OH 1-Propanol 6.732 6.670 0.062
CH3CN Acetonitrile 4.353 4.280 0.073
HCOOH Formic acid 3.397 3.319 0.078
CH3NH2 methyl amine 3.833 3.754 0.080
HCOOC2H5 Ethyl formate 6.964 6.880 0.084
CHONH2 formamide 4.170 4.080 0.090
CHONH2 formamide 4.170 4.080 0.090
OCS Carbonyl sulfide 5.182 5.090 0.092
CO Carbon monoxide 2.045 1.953 0.092
H2+ Hydrogen cation 0.562 0.469 0.093
CH3SOCH3 Dimethyl sulfoxide 8.083 7.969 0.114
CO2 Carbon dioxide 2.635 2.507 0.127
C4H8O2 Ethyl acetate 8.766 8.620 0.146
C3H8 Propane 6.076 5.921 0.155
SO2 Sulfur dioxide 4.046 3.882 0.163
C6H5CHO benzaldehyde 12.972 12.800 0.172
SF6 Sulfur Hexafluoride 4.665 4.490 0.175
CH3SH Methanethiol 5.371 5.186 0.184
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 18.081 17.886 0.196
C3H6O3 1,3,5-Trioxane 7.216 7.020 0.197
CH3CHO Acetaldehyde 4.494 4.278 0.216
F2SO Thionyl Fluoride 4.168 3.927 0.241
PH3 Phosphine 4.478 4.237 0.241
C3H4N2 1H-Imidazole 7.355 7.090 0.265
GeH4 Germane 5.053 4.770 0.283
C4H5N Pyrrole 8.228 7.940 0.288
PF5 Phosphorus pentafluoride 3.957 3.650 0.307
CH2CCH2 allene 6.014 5.690 0.324
SO3 Sulfur trioxide 4.647 4.297 0.349
C4H2 Diacetylene 7.206 6.811 0.395
C6H6 Benzene 10.438 9.959 0.478
C3F6 hexafluoropropene 6.334 5.838 0.496
As4 Arsenic tetramer 17.850 17.293 0.557
Li Lithium atom 24.953 24.330 0.623
C10H8 naphthalene 18.078 17.400 0.678
C6H4Cl2 1,3-dichlorobenzene 14.672 13.729 0.943
C10H8 Azulene 20.030 15.520 4.510