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Comparison of polarizabilities for MP2=FULL/6-31G**

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.564    
(CH3)3CC(CH3)3 tetramethylbutane 12.141 15.610 -3.469
C9H20 Nonane 14.180 17.370 -3.190
AsCl3 Arsenous trichloride 8.358 11.370 -3.012
CSe2 Carbon diselenide 8.684 11.269 -2.585
C6H4Cl2 1,3-dichlorobenzene 11.149 13.729 -2.580
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.888 8.401 -2.512
C6H12 hex-1-ene 9.177 11.650 -2.474
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.708 8.000 -2.293
C6H5F Fluorobenzene 7.996 10.200 -2.204
Cl2 Chlorine diatomic 2.643 4.610 -1.967
CH3CH2SH ethanethiol 5.419 7.380 -1.960
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.548 6.499 -1.951
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.568 6.499 -1.932
CH2ClCH2OH 2-Chloroethanol 4.994 6.880 -1.886
NH2CH2CH2CH3 1-Propanamine 5.819 7.700 -1.881
C4H2 Diacetylene 4.940 6.811 -1.871
C5H8O Cyclopentanone 7.390 9.250 -1.860
H2Se Hydrogen selenide 2.970 4.770 -1.800
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.375 8.049 -1.674
Li Lithium atom 22.662 24.330 -1.668
NO2 Nitrogen dioxide 1.249 2.910 -1.661
CH3CH(CH3)CH3 Isobutane 6.348 8.009 -1.661
C4H8O2 Ethyl acetate 7.006 8.620 -1.614
SiH4 Silane 3.170 4.777 -1.608
H2S Hydrogen sulfide 2.136 3.631 -1.495
Cl Chlorine atom 0.817 2.180 -1.363
SeF6 Selenium hexafluoride 3.966 5.320 -1.354
C2H4 Ethylene 2.849 4.188 -1.339
C2N2 Cyanogen 3.690 5.015 -1.325
HCl Hydrogen chloride 1.243 2.515 -1.272
PH3 Phosphine 2.981 4.237 -1.256
CHONH2 formamide 2.939 4.080 -1.140
CHONH2 formamide 2.940 4.080 -1.139
CH3NO2 Methane, nitro- 3.720 4.800 -1.080
Ar Argon atom 0.591 1.664 -1.073
SF6 Sulfur Hexafluoride 3.467 4.490 -1.023
CH3NH2 methyl amine 2.772 3.754 -0.982
NH3 Ammonia 1.219 2.103 -0.884
CH3CHO Acetaldehyde 3.446 4.278 -0.832
NO Nitric oxide 0.869 1.698 -0.829
N2O Nitrous oxide 2.229 2.998 -0.769
O2 Oxygen diatomic 0.795 1.562 -0.767
H2O Water 0.764 1.501 -0.737
CH3F Methyl fluoride 1.879 2.540 -0.661
H Hydrogen atom 0.038 0.667 -0.629
CH4 Methane 1.826 2.448 -0.622
Be Beryllium atom 5.027 5.600 -0.573
CO2 Carbon dioxide 1.962 2.507 -0.545
CO Carbon monoxide 1.438 1.953 -0.515
N2 Nitrogen diatomic 1.252 1.710 -0.458
O Oxygen atom 0.353 0.802 -0.449
H2 Hydrogen diatomic 0.361 0.787 -0.427
F2 Fluorine diatomic 0.738 1.160 -0.422
HF Hydrogen fluoride 0.418 0.800 -0.382
F Fluorine atom 0.248 0.557 -0.309
Ne Neon atom 0.183 0.381 -0.198
H2+ Hydrogen cation 0.294 0.469 -0.175
He Helium atom 0.057 0.208 -0.152
C10H8 Azulene 15.893 15.520 0.373
Na Sodium atom 27.191 24.110 3.082