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Comparison of polarizabilities for MP2/6-31G(2df,p)

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.229    
CaO Calcium monoxide -13.527 2.841 -16.368
N2 Nitrogen diatomic -3.467 1.710 -5.177
NO2 Nitrogen dioxide -2.081 2.910 -4.991
C16H10 Pyrene 25.255 29.720 -4.465
SiH3Cl chlorosilane 4.913 9.113 -4.200
ClF3 Chlorine trifluoride 3.364 7.483 -4.120
ClF3 Chlorine trifluoride 3.835 7.483 -3.648
(CH3)3CC(CH3)3 tetramethylbutane 12.485 15.610 -3.124
C10H22 Decane 16.198 19.100 -2.902
C9H20 Nonane 14.569 17.370 -2.801
C6H15N triethylamine 10.811 13.380 -2.569
C10H8 naphthalene 14.878 17.400 -2.521
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 15.525 17.886 -2.360
PCl3 Phosphorus trichloride 8.439 10.634 -2.195
C6H5CHO benzaldehyde 10.620 12.800 -2.181
PBr3 Phosphorus tribromide 12.218 14.380 -2.162
C6H12 hex-1-ene 9.508 11.650 -2.143
AsCl3 Arsenous trichloride 9.316 11.370 -2.054
CCl3CHO trichloroacetaldehyde 8.452 10.500 -2.048
BCl3 Borane, trichloro- 6.655 8.700 -2.045
GeCl4 Germanium Tetrachloride 10.477 12.490 -2.014
CH3CHBrCH3 i-propyl bromide 7.634 9.600 -1.966
Cl2CS Thiophosgene 7.616 9.573 -1.957
HCCCl Chloroacetylene 4.129 6.070 -1.941
CHBr3 bromoform 9.947 11.840 -1.893
As4 Arsenic tetramer 15.429 17.293 -1.864
Si2H6 disilane 7.575 9.410 -1.835
C3H7OC3H7 di-n-propyl ether 10.399 12.219 -1.821
C2H6O2S Dimethyl sulfone 6.585 8.401 -1.815
C2H3Br vinyl bromide 5.813 7.590 -1.777
C5H10O 3-Pentanone 8.174 9.930 -1.756
CH3CH(NH2)CH3 2-Propanamine 6.017 7.769 -1.752
C2H3Cl Ethene, chloro- 4.675 6.410 -1.736
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 6.306 8.030 -1.724
CH2Cl2 Methylene chloride 4.940 6.659 -1.720
CH3CH2CH2CN Butanenitrile 6.687 8.400 -1.713
CCl4 Carbon tetrachloride 8.296 10.002 -1.706
CHCCH2CH3 1-Butyne 5.706 7.410 -1.704
CS2 Carbon disulfide 7.046 8.749 -1.703
CH3SCH3 Dimethyl sulfide 5.856 7.550 -1.694
C4H5N Pyrrole 6.252 7.940 -1.688
NH2CH2CH2CH3 1-Propanamine 6.012 7.700 -1.687
C5H10 Cyclopentane 7.487 9.170 -1.683
C4H10O Methyl propyl ether 7.180 8.860 -1.680
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.733 8.401 -1.668
CH3CH2Cl Ethyl chloride 4.946 6.590 -1.643
C6H6 Benzene 8.326 9.959 -1.633
CH3CHCl2 Ethane, 1,1-dichloro- 6.544 8.161 -1.616
C5H8O Cyclopentanone 7.640 9.250 -1.609
C2H4S Thiirane 5.317 6.910 -1.593
CH3CH2SH ethanethiol 5.788 7.380 -1.592
CH2C(CH3)CH3 1-Propene, 2-methyl- 6.292 7.880 -1.589
CH3CH2SH ethanethiol 5.806 7.380 -1.574
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.434 8.000 -1.567
C4H4O Furan 5.667 7.230 -1.563
CH3SOCH3 Dimethyl sulfoxide 6.414 7.969 -1.555
C6H4Cl2 1,3-dichlorobenzene 12.184 13.729 -1.545
CH2CHCH2CH3 1-Butene 6.291 7.830 -1.539
CSe2 Carbon diselenide 9.731 11.269 -1.538
CHCl3 Chloroform 6.604 8.129 -1.525
CH3CH(CH3)CH3 Isobutane 6.508 8.009 -1.501
CH2CCl2 Ethene, 1,1-dichloro- 6.334 7.830 -1.496
CH3CH2CH2CH3 Butane 6.547 8.020 -1.473
C4H10O 1-Butanol 7.099 8.570 -1.471
CHFCl2 fluorodichloromethane 5.140 6.611 -1.471
CH2Br2 dibromomethane 7.210 8.680 -1.470
CH2CHCHO Acrolein 4.917 6.379 -1.463
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.041 6.499 -1.458
CH3CCH propyne 4.096 5.550 -1.454
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.058 6.499 -1.441
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.636 8.049 -1.413
C3H4N2 1H-Imidazole 5.677 7.090 -1.412
CH3CH2NH2 Ethylamine 4.468 5.870 -1.401
C4H2 Diacetylene 5.417 6.811 -1.393
CCl2O Phosgene 5.397 6.790 -1.393
CH2ClCH2OH 2-Chloroethanol 5.493 6.880 -1.387
CH3CH2CH2Br n-propyl bromide 7.704 9.070 -1.366
CH3CH2COOH Propanoic Acid 5.619 6.960 -1.341
CH2CHCHO Acrolein 5.040 6.379 -1.339
O3 Ozone 1.744 3.079 -1.335
C4H8O2 Ethyl acetate 7.304 8.620 -1.316
CH2CHCH3 Propene 4.686 5.990 -1.303
P Phosphorus atom 2.379 3.630 -1.251
C3H7ONO Propyl nitrite 7.257 8.500 -1.243
CH3CH2CHO Propanal 5.113 6.350 -1.237
Cl2 Chlorine diatomic 3.378 4.610 -1.232
BBr3 Boron tribromide 10.146 11.351 -1.205
SiH4 Silane 3.575 4.777 -1.203
C2H5Br Ethyl bromide 6.079 7.280 -1.201
C3H6 Cyclopropane 4.450 5.640 -1.190
BrCN Cyanogen bromide 4.641 5.824 -1.183
CH3COCH3 Acetone 5.115 6.270 -1.155
C2H5CN ethyl cyanide 5.089 6.240 -1.151
PF3 Phosphorus trifluoride 3.266 4.414 -1.148
C3H7OH 1-Propanol 5.522 6.670 -1.148
CH3CHOHCH3 Isopropyl alcohol 5.523 6.670 -1.147
C2H4 Ethylene 3.041 4.188 -1.147
C2H2 Acetylene 2.346 3.487 -1.140
C3H7OH 1-Propanol 5.530 6.670 -1.140
CH3OCH3 Dimethyl ether 4.022 5.160 -1.137
HCOOC2H5 Ethyl formate 5.752 6.880 -1.129
CH3Br methyl bromide 4.492 5.610 -1.118
CH3CH2OH Ethanol 3.997 5.112 -1.115
CF2Cl2 difluorodichloromethane 5.267 6.370 -1.104
CH2CCH2 allene 4.594 5.690 -1.096
CH2CO Ketene 3.310 4.400 -1.090
H2S Hydrogen sulfide 2.542 3.631 -1.088
H2Se Hydrogen selenide 3.697 4.770 -1.073
CH3Cl Methyl chloride 3.348 4.416 -1.068
N2H4 Hydrazine 2.397 3.460 -1.063
CH3COOH Acetic acid 4.107 5.149 -1.042
C3H6O3 1,3,5-Trioxane 5.978 7.020 -1.041
CH3CONH2 Acetamide 4.629 5.670 -1.040
AsH3 Arsine 4.436 5.468 -1.032
C2N2 Cyanogen 3.983 5.015 -1.031
SeF6 Selenium hexafluoride 4.290 5.320 -1.030
N(CH3)3 Trimethylamine 6.078 7.076 -0.997
CH3SH Methanethiol 4.198 5.186 -0.988
CH2FCl fluorochloromethane 3.531 4.509 -0.979
CH3NHCH3 Dimethylamine 4.499 5.447 -0.948
C2H4O Ethylene oxide 3.485 4.431 -0.946
C3H8 Propane 4.983 5.921 -0.939
B2H6 Diborane 4.182 5.115 -0.934
CHONH2 formamide 3.160 4.080 -0.920
CHONH2 formamide 3.160 4.080 -0.920
GeF4 Germanium tetrafluoride 3.131 4.050 -0.919
CH3OCHO methyl formate 4.138 5.050 -0.913
CF3Cl Methane, chlorotrifluoro- 3.757 4.650 -0.893
PH3 Phosphine 3.355 4.237 -0.882
CH3NO2 Methane, nitro- 3.929 4.800 -0.871
OCS Carbonyl sulfide 4.220 5.090 -0.870
CH3NH2 methyl amine 2.910 3.754 -0.843
HCl Hydrogen chloride 1.688 2.515 -0.827
C2H6 Ethane 3.444 4.226 -0.782
CH3OH Methyl alcohol 2.442 3.210 -0.768
CH3CN Acetonitrile 3.526 4.280 -0.753
NH3 Ammonia 1.359 2.103 -0.744
SO2 Sulfur dioxide 3.146 3.882 -0.736
HBr hydrogen bromide 2.886 3.616 -0.730
H2CO Formaldehyde 2.053 2.770 -0.717
CF3CHF2 pentafluoroethane 3.913 4.623 -0.710
HCOOH Formic acid 2.611 3.319 -0.708
HCN Hydrogen cyanide 1.895 2.593 -0.698
SO3 Sulfur trioxide 3.622 4.297 -0.675
HCOOH Formic acid 2.653 3.319 -0.666
CH3CHO Acetaldehyde 3.617 4.278 -0.661
SF6 Sulfur Hexafluoride 3.836 4.490 -0.654
CH2F2 Methane, difluoro- 2.142 2.761 -0.619
F2SO Thionyl Fluoride 3.309 3.927 -0.618
NF3 Nitrogen trifluoride 2.196 2.810 -0.614
C2H5F fluoroethane 3.555 4.164 -0.609
H2O Water 0.914 1.501 -0.587
N2O Nitrous oxide 2.426 2.998 -0.572
NO Nitric oxide 1.135 1.698 -0.563
CHF3 Methane, trifluoro- 2.246 2.801 -0.555
CH4 Methane 1.905 2.448 -0.543
O2 Oxygen diatomic 1.021 1.562 -0.541
O2 Oxygen diatomic 1.035 1.562 -0.527
CH3F Methyl fluoride 2.032 2.540 -0.508
CO Carbon monoxide 1.449 1.953 -0.504
C3F6 hexafluoropropene 5.407 5.838 -0.431
H2 Hydrogen diatomic 0.361 0.787 -0.426
CO Carbon monoxide 1.566 1.953 -0.387
FCN Cyanogen fluoride 2.168 2.550 -0.382
PF5 Phosphorus pentafluoride 3.285 3.650 -0.365
CO2 Carbon dioxide 2.159 2.507 -0.348
N2 Nitrogen diatomic 1.389 1.710 -0.321
GeH4 Germane 4.475 4.770 -0.295
HF Hydrogen fluoride 0.558 0.800 -0.242
F2 Fluorine diatomic 0.929 1.160 -0.232
H2+ Hydrogen cation 0.324 0.469 -0.145
C10H8 Azulene 16.493 15.520 0.973