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Comparison of polarizabilities for MP2/TZVP

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 4.089    
AsCl3 Arsenous trichloride 8.365 11.370 -3.005
CSe2 Carbon diselenide 9.229 11.269 -2.040
Cl2 Chlorine diatomic 2.633 4.610 -1.977
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.521 8.401 -1.880
(CH3)3CC(CH3)3 tetramethylbutane 13.849 15.610 -1.760
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.342 8.000 -1.658
NO2 Nitrogen dioxide 1.311 2.910 -1.599
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.020 6.499 -1.479
C9H20 Nonane 15.916 17.370 -1.455
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.047 6.499 -1.453
Cl Chlorine atom 0.800 2.180 -1.380
H2S Hydrogen sulfide 2.252 3.631 -1.379
CH3CH2SH ethanethiol 6.065 7.380 -1.315
CH2ClCH2OH 2-Chloroethanol 5.579 6.880 -1.301
HCl Hydrogen chloride 1.309 2.515 -1.205
C6H12 hex-1-ene 10.498 11.650 -1.152
C6H4Cl2 1,3-dichlorobenzene 12.643 13.729 -1.086
SeF6 Selenium hexafluoride 4.262 5.320 -1.057
NH2CH2CH2CH3 1-Propanamine 6.649 7.700 -1.050
SiH4 Silane 3.734 4.777 -1.044
C4H2 Diacetylene 5.834 6.811 -0.976
C5H8O Cyclopentanone 8.303 9.250 -0.947
C2N2 Cyanogen 4.069 5.015 -0.946
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.183 8.049 -0.867
PH3 Phosphine 3.415 4.237 -0.822
CH3CH(CH3)CH3 Isobutane 7.255 8.009 -0.755
C4H8O2 Ethyl acetate 7.878 8.620 -0.742
O2 Oxygen diatomic 0.911 1.562 -0.651
NH3 Ammonia 1.462 2.103 -0.641
NO Nitric oxide 1.066 1.698 -0.633
CHONH2 formamide 3.455 4.080 -0.625
CHONH2 formamide 3.471 4.080 -0.609
CH3NH2 methyl amine 3.156 3.754 -0.598
H Hydrogen atom 0.086 0.667 -0.581
H2O Water 0.934 1.501 -0.567
N2O Nitrous oxide 2.494 2.998 -0.503
CH3F Methyl fluoride 2.047 2.540 -0.493
F2 Fluorine diatomic 0.747 1.160 -0.413
N Nitrogen atom 0.692 1.100 -0.408
CH4 Methane 2.053 2.448 -0.395
H2 Hydrogen diatomic 0.416 0.787 -0.371
F Fluorine atom 0.214 0.557 -0.343
HF Hydrogen fluoride 0.466 0.800 -0.334
CO2 Carbon dioxide 2.195 2.507 -0.313
N2 Nitrogen diatomic 1.415 1.710 -0.295
CO Carbon monoxide 1.699 1.953 -0.254
H2+ Hydrogen cation 0.317 0.469 -0.153
Be Beryllium atom 6.488 5.600 0.888
C10H8 Azulene 18.194 15.520 2.674