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

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 4.129    
NO2 Nitrogen dioxide -1.943 2.910 -4.853
(CH3)3CC(CH3)3 tetramethylbutane 12.485 15.610 -3.124
C9H20 Nonane 14.569 17.370 -2.801
PCl3 Phosphorus trichloride 8.439 10.634 -2.195
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
CHBr3 bromoform 9.947 11.840 -1.893
CH3CH(NH2)CH3 2-Propanamine 6.017 7.769 -1.752
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 6.306 8.030 -1.724
CH2Cl2 Methylene chloride 4.940 6.659 -1.719
CH3SCH3 Dimethyl sulfide 5.855 7.550 -1.695
NH2CH2CH2CH3 1-Propanamine 6.012 7.700 -1.688
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.733 8.401 -1.668
CH3CH2Cl Ethyl chloride 4.946 6.590 -1.643
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
CH3SOCH3 Dimethyl sulfoxide 6.414 7.969 -1.555
C6H4Cl2 1,3-dichlorobenzene 12.184 13.729 -1.545
CSe2 Carbon diselenide 9.731 11.269 -1.538
CHCl3 Chloroform 6.604 8.129 -1.526
CH3CH(CH3)CH3 Isobutane 6.508 8.009 -1.501
CH2CCl2 Ethene, 1,1-dichloro- 6.334 7.830 -1.496
C4H10O 1-Butanol 7.099 8.570 -1.471
CHFCl2 fluorodichloromethane 5.140 6.611 -1.471
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
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
CH2CHCHO Acrolein 5.040 6.379 -1.340
O3 Ozone 1.744 3.079 -1.335
C4H8O2 Ethyl acetate 7.301 8.620 -1.319
CH2CHCH3 Propene 4.686 5.990 -1.303
CH3CH2CHO Propanal 5.113 6.350 -1.237
Cl2 Chlorine diatomic 3.378 4.610 -1.232
SiH4 Silane 3.573 4.777 -1.204
PF3 Phosphorus trifluoride 3.266 4.414 -1.148
CH3CHOHCH3 Isopropyl alcohol 5.523 6.670 -1.147
C2H4 Ethylene 3.042 4.188 -1.146
C3H7OH 1-Propanol 5.530 6.670 -1.140
CH3OCH3 Dimethyl ether 4.022 5.160 -1.138
CH3Br methyl bromide 4.492 5.610 -1.118
CH3CH2OH Ethanol 3.997 5.112 -1.115
CF2Cl2 difluorodichloromethane 5.266 6.370 -1.105
CH2CO Ketene 3.310 4.400 -1.090
H2S Hydrogen sulfide 2.543 3.631 -1.088
H2Se Hydrogen selenide 3.697 4.770 -1.073
CH3Cl Methyl chloride 3.349 4.416 -1.067
N2H4 Hydrazine 2.397 3.460 -1.063
CH3COOH Acetic acid 4.107 5.149 -1.042
CH3CONH2 Acetamide 4.629 5.670 -1.040
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
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
CHONH2 formamide 3.160 4.080 -0.920
CHONH2 formamide 3.160 4.080 -0.920
CH3OCHO methyl formate 4.138 5.050 -0.913
PH3 Phosphine 3.355 4.237 -0.881
CH3NO2 Methane, nitro- 3.929 4.800 -0.871
OCS Carbonyl sulfide 4.220 5.090 -0.870
CH3NH2 methyl amine 2.911 3.754 -0.843
HCl Hydrogen chloride 1.688 2.515 -0.827
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 3.147 3.882 -0.736
HBr hydrogen bromide 2.886 3.616 -0.730
H2CO Formaldehyde 2.052 2.770 -0.717
HCOOH Formic acid 2.611 3.319 -0.708
HCN Hydrogen cyanide 1.895 2.593 -0.698
CH3CHO Acetaldehyde 3.617 4.278 -0.661
SF6 Sulfur Hexafluoride 3.836 4.490 -0.654
CH2F2 Methane, difluoro- 2.143 2.761 -0.618
NF3 Nitrogen trifluoride 2.196 2.810 -0.614
H2O Water 0.914 1.501 -0.587
N2O Nitrous oxide 2.425 2.998 -0.573
NO Nitric oxide 1.135 1.698 -0.564
CHF3 Methane, trifluoro- 2.247 2.801 -0.554
CH4 Methane 1.905 2.448 -0.543
O2 Oxygen diatomic 1.021 1.562 -0.541
CH3F Methyl fluoride 2.031 2.540 -0.509
CO Carbon monoxide 1.449 1.953 -0.504
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
CO2 Carbon dioxide 2.159 2.507 -0.348
N2 Nitrogen diatomic 1.389 1.710 -0.321
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