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Comparison of polarizabilities for MP2=FULL/3-21G

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 2.981    
NO2 Nitrogen dioxide -1.627 2.910 -4.537
(CH3)3CC(CH3)3 tetramethylbutane 11.506 15.610 -4.103
C9H20 Nonane 13.539 17.370 -3.831
CSe2 Carbon diselenide 7.818 11.269 -3.452
C6H4Cl2 1,3-dichlorobenzene 10.309 13.729 -3.420
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.334 8.401 -3.067
C6H12 hex-1-ene 8.649 11.650 -3.001
C6H5F Fluorobenzene 7.321 10.200 -2.879
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.353 8.000 -2.648
AsCl3 Arsenous trichloride 8.730 11.370 -2.640
C4H2 Diacetylene 4.237 6.811 -2.574
C4H2 Diacetylene 4.264 6.811 -2.547
H2Se Hydrogen selenide 2.322 4.770 -2.448
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.199 6.499 -2.301
C5H8O Cyclopentanone 6.961 9.250 -2.289
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.212 6.499 -2.288
NH2CH2CH2CH3 1-Propanamine 5.414 7.700 -2.286
SeF6 Selenium hexafluoride 3.084 5.320 -2.235
CH3CH2SH ethanethiol 5.148 7.380 -2.232
CH2ClCH2OH 2-Chloroethanol 4.686 6.880 -2.194
CH3CH(CH3)CN Propanenitrile, 2-methyl- 5.889 8.049 -2.160
Cl2 Chlorine diatomic 2.453 4.610 -2.157
C4H8O2 Ethyl acetate 6.569 8.620 -2.050
CH3CH(CH3)CH3 Isobutane 5.996 8.009 -2.014
C2N2 Cyanogen 3.111 5.015 -1.903
Cl Chlorine atom 0.435 2.180 -1.745
H2S Hydrogen sulfide 1.928 3.631 -1.702
C2H4 Ethylene 2.590 4.188 -1.597
HCl Hydrogen chloride 0.938 2.515 -1.577
SiH4 Silane 3.208 4.777 -1.570
CHONH2 formamide 2.539 4.080 -1.541
CHONH2 formamide 2.539 4.080 -1.541
Ar Argon atom 0.207 1.664 -1.457
CH3NO2 Methane, nitro- 3.360 4.800 -1.440
SF6 Sulfur Hexafluoride 3.106 4.490 -1.384
O2 Oxygen diatomic 0.201 1.562 -1.361
PH3 Phosphine 2.949 4.237 -1.287
CH3NH2 methyl amine 2.503 3.754 -1.250
NO Nitric oxide 0.500 1.698 -1.198
CH3CHO Acetaldehyde 3.118 4.278 -1.160
NH3 Ammonia 0.951 2.103 -1.151
N2O Nitrous oxide 1.890 2.998 -1.107
H2O Water 0.595 1.501 -0.906
CH3F Methyl fluoride 1.655 2.540 -0.885
CO2 Carbon dioxide 1.671 2.507 -0.836
CH4 Methane 1.689 2.448 -0.759
F2 Fluorine diatomic 0.438 1.160 -0.722
N2 Nitrogen diatomic 1.013 1.710 -0.697
CO Carbon monoxide 1.286 1.953 -0.667
O Oxygen atom 0.192 0.802 -0.610
HF Hydrogen fluoride 0.247 0.800 -0.553
F Fluorine atom 0.067 0.557 -0.490
C10H8 Azulene 15.037 15.520 -0.483
Ne Neon atom 0.017 0.381 -0.364
Be Beryllium atom 5.326 5.600 -0.274
Li Lithium atom 26.791 24.330 2.461
Na Sodium atom 28.925 24.110 4.815