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Comparison of polarizabilities for MP2/cc-pVTZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.941    
Li Lithium atom 10.173 24.330 -14.157
CH3CHClCH2CH3 Butane, 2-chloro- 8.880 12.499 -3.619
C2F6 hexafluoroethane 3.968 6.819 -2.852
C6H5Br bromobenzene 12.001 14.700 -2.699
PBr3 Phosphorus tribromide 11.801 14.380 -2.579
C16H10 Pyrene 27.253 29.720 -2.466
CH2ClCH2CH2CH3 Butane, 1-chloro- 8.930 11.301 -2.371
CHBr3 bromoform 9.487 11.840 -2.353
AsCl3 Arsenous trichloride 9.339 11.370 -2.031
CCl3CHO trichloroacetaldehyde 8.728 10.500 -1.773
BeH2 beryllium dihydride 2.599 4.340 -1.741
CSe2 Carbon diselenide 9.596 11.269 -1.674
(CH3)3CC(CH3)3 tetramethylbutane 14.002 15.610 -1.608
CCl4 Carbon tetrachloride 8.408 10.002 -1.595
CS2 Carbon disulfide 7.176 8.749 -1.573
HCCCl Chloroacetylene 4.529 6.070 -1.541
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.894 8.401 -1.507
O3 Ozone 1.655 3.079 -1.424
Cl2 Chlorine diatomic 3.306 4.610 -1.304
C5H11Cl Pentane, 1-chloro- 10.719 12.000 -1.281
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.806 8.000 -1.195
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.307 6.499 -1.192
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.330 6.499 -1.169
C6H15N triethylamine 12.210 13.380 -1.169
C9H20 Nonane 16.260 17.370 -1.111
SeF6 Selenium hexafluoride 4.255 5.320 -1.064
P Phosphorus atom 2.568 3.630 -1.062
CH3CH2CH2CN Butanenitrile 7.353 8.400 -1.047
C10H22 Decane 18.059 19.100 -1.040
C6H12 hex-1-ene 10.644 11.650 -1.007
C6H10O cyclohexanone 10.055 11.061 -1.006
CH3CH2SH ethanethiol 6.383 7.380 -0.996
CH2ClCH2OH 2-Chloroethanol 5.892 6.880 -0.989
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 8.918 9.879 -0.962
CHCCH2CH3 1-Butyne 6.453 7.410 -0.957
CHOCHCHCH3 2-Butenal 7.573 8.500 -0.927
H2S Hydrogen sulfide 2.704 3.631 -0.927
NH2CH2CH2CH3 1-Propanamine 6.794 7.700 -0.905
Cl Chlorine atom 1.280 2.180 -0.900
Si2H6 disilane 8.514 9.410 -0.896
C5H8O Cyclopentanone 8.362 9.250 -0.887
C6H10 1-Hexyne 10.031 10.900 -0.870
SF6 Sulfur Hexafluoride 3.673 4.490 -0.817
CH3CH2COOH Propanoic Acid 6.166 6.960 -0.794
C5H11N Piperidine 9.535 10.320 -0.784
CHOCH2CH2CH3 Butanal 7.397 8.180 -0.783
C2N2 Cyanogen 4.253 5.015 -0.761
C3H4N2 1H-Imidazole 6.332 7.090 -0.758
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.305 8.049 -0.744
NF3 Nitrogen trifluoride 2.073 2.810 -0.736
C6H4Cl2 1,3-dichlorobenzene 12.998 13.729 -0.732
C2H4 Ethylene 3.462 4.188 -0.726
CH3CHCHCH3 2-Butene, (E)- 7.171 7.880 -0.709
Ar Argon atom 0.961 1.664 -0.703
CH2CHCH3 Propene 5.289 5.990 -0.701
C2H2 Acetylene 2.789 3.487 -0.698
C4H10O 1-Butanol 7.906 8.570 -0.663
C2H5CN ethyl cyanide 5.582 6.240 -0.658
C3H6 Cyclopropane 4.991 5.640 -0.649
SO2 Sulfur dioxide 3.235 3.882 -0.648
CH3NO2 Methane, nitro- 4.165 4.800 -0.634
C6H5NO2 Nitrobenzene 11.626 12.259 -0.633
O2 Oxygen diatomic 0.935 1.562 -0.627
C3H7ONO Propyl nitrite 7.874 8.500 -0.626
O2 Oxygen diatomic 0.939 1.562 -0.623
C4H8O2 Ethyl acetate 8.013 8.620 -0.607
CHONH2 formamide 3.473 4.080 -0.606
CHONH2 formamide 3.473 4.080 -0.606
C4H2 Diacetylene 6.210 6.811 -0.601
CH2F2 Methane, difluoro- 2.172 2.761 -0.589
C5H9N Propanenitrile, 2,2-dimethyl- 9.014 9.591 -0.577
SiH4 Silane 4.203 4.777 -0.574
NO Nitric oxide 1.131 1.698 -0.567
CH3CONH2 Acetamide 5.107 5.670 -0.562
CF4 Carbon tetrafluoride 2.263 2.824 -0.562
H2CO Formaldehyde 2.226 2.770 -0.544
CH2CCH2 allene 5.152 5.690 -0.538
C Carbon atom 1.237 1.760 -0.523
CH3OH Methyl alcohol 2.705 3.210 -0.504
NH3 Ammonia 1.601 2.103 -0.502
HCOOH Formic acid 2.820 3.319 -0.500
H2O Water 1.034 1.501 -0.467
N Nitrogen atom 0.638 1.100 -0.462
CH3NH2 methyl amine 3.298 3.754 -0.455
H Hydrogen atom 0.215 0.667 -0.452
BF3 Borane, trifluoro- 1.988 2.420 -0.432
F2 Fluorine diatomic 0.744 1.160 -0.416
O Oxygen atom 0.395 0.802 -0.407
CO Carbon monoxide 1.571 1.953 -0.382
CH3F Methyl fluoride 2.159 2.540 -0.381
F Fluorine atom 0.237 0.557 -0.320
C2H6 Ethane 3.926 4.226 -0.300
N2 Nitrogen diatomic 1.415 1.710 -0.295
FCN Cyanogen fluoride 2.273 2.550 -0.277
CO2 Carbon dioxide 2.234 2.507 -0.273
C3H8 Propane 5.656 5.921 -0.266
CH4 Methane 2.197 2.448 -0.251
Ne Neon atom 0.152 0.381 -0.229
H2 Hydrogen diatomic 0.575 0.787 -0.213
He Helium atom 0.094 0.208 -0.114
H2+ Hydrogen cation 0.560 0.469 0.090
C5H12 Butane, 2-methyl- 9.073 8.770 0.304
Be Beryllium atom 6.217 5.600 0.617
C10H8 Azulene 17.938 15.520 2.418
Na Sodium atom 27.645 24.110 3.536