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Comparison of polarizabilities for SVWN/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 9.195    
CH3CHClCH2CH3 Butane, 2-chloro- 10.351 12.499 -2.148
C2F6 hexafluoroethane 4.978 6.819 -1.841
BeH2 beryllium dihydride 3.322 4.340 -1.018
CH2ClCH2CH2CH3 Butane, 1-chloro- 10.426 11.301 -0.874
C6H5Br bromobenzene 13.893 14.700 -0.807
CSe2 Carbon diselenide 10.473 11.269 -0.797
CH2CHCHCH2 1,3-Butadiene 8.201 8.881 -0.680
CS2 Carbon disulfide 8.078 8.749 -0.671
HCCCl Chloroacetylene 5.583 6.070 -0.486
C5H12O 1-Pentanol 11.149 11.581 -0.432
O3 Ozone 2.677 3.079 -0.402
Cl2 Chlorine diatomic 4.366 4.610 -0.244
CH3Br methyl bromide 5.382 5.610 -0.228
CH2Cl2 Methylene chloride 6.434 6.659 -0.225
PBr3 Phosphorus tribromide 14.162 14.380 -0.218
H2Se Hydrogen selenide 4.583 4.770 -0.187
CH2CHCl Ethene, chloro- 6.226 6.410 -0.184
NO2 Nitrogen dioxide 2.738 2.910 -0.172
CH2Br2 dibromomethane 8.510 8.680 -0.170
CHBr3 bromoform 11.675 11.840 -0.165
CH2CHCHCH2 1,3-Butadiene 8.755 8.881 -0.126
CH3CH2Cl Ethyl chloride 6.465 6.590 -0.124
AsCl3 Arsenous trichloride 11.251 11.370 -0.120
N2O Nitrous oxide 2.885 2.998 -0.113
O2 Oxygen diatomic 1.480 1.562 -0.082
CCl2O Phosgene 6.735 6.790 -0.055
F2 Fluorine diatomic 1.113 1.160 -0.047
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.460 6.499 -0.040
HCN Hydrogen cyanide 2.564 2.593 -0.029
HCl Hydrogen chloride 2.490 2.515 -0.024
H2O Water 1.481 1.501 -0.020
CHFCl2 fluorodichloromethane 6.598 6.611 -0.013
H2CO Formaldehyde 2.765 2.770 -0.005
CH3Cl Methyl chloride 4.414 4.416 -0.002
HF Hydrogen fluoride 0.801 0.800 0.001
CH2F2 Methane, difluoro- 2.763 2.761 0.003
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.509 6.499 0.010
H2+ Hydrogen cation 0.483 0.469 0.013
C2H2 Acetylene 3.503 3.487 0.016
C2H4O Ethylene oxide 4.458 4.431 0.028
H2S Hydrogen sulfide 3.659 3.631 0.029
CO Carbon monoxide 1.983 1.953 0.030
C3H6 Cyclopropane 5.671 5.640 0.031
C3H6 Cyclopropane 5.672 5.640 0.032
CO2 Carbon dioxide 2.551 2.507 0.043
CO2 Carbon dioxide 2.551 2.507 0.043
C2H4 Ethylene 4.250 4.188 0.062
BF3 Borane, trifluoro- 2.488 2.420 0.068
SO2 Sulfur dioxide 3.952 3.882 0.070
CHF3 Methane, trifluoro- 2.871 2.801 0.071
CF3Br Bromotrifluoromethane 5.724 5.650 0.073
C2N2 Cyanogen 5.088 5.015 0.074
N2 Nitrogen diatomic 1.790 1.710 0.080
CF3Cl Methane, chlorotrifluoro- 4.737 4.650 0.087
CH3SCH3 Dimethyl sulfide 7.639 7.550 0.089
CF4 Carbon tetrafluoride 2.915 2.824 0.090
H2 Hydrogen diatomic 0.884 0.787 0.096
C6H12 Cyclohexane 11.097 11.000 0.097
CH3CH2CH2CN Butanenitrile 8.509 8.400 0.109
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 8.146 8.030 0.116
NH3 Ammonia 2.227 2.103 0.125
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.531 8.401 0.130
CH3F Methyl fluoride 2.670 2.540 0.131
CH3CCH propyne 5.695 5.550 0.145
CH3NO2 Methane, nitro- 4.946 4.800 0.146
CH3OH Methyl alcohol 3.358 3.210 0.148
HCOOH Formic acid 3.493 3.319 0.174
C4H4O Furan 7.406 7.230 0.176
C5H10 Cyclopentane 9.347 9.170 0.177
N2H4 Hydrazine 3.647 3.460 0.187
N2H4 Hydrazine 3.647 3.460 0.187
C3H4N2 1H-Pyrazole 7.433 7.230 0.203
CH3COOH Acetic acid 5.353 5.149 0.204
P Phosphorus atom 3.835 3.630 0.205
C5H5N Pyridine 9.701 9.493 0.208
CH3CH2OH Ethanol 5.323 5.112 0.210
CH2ClCHCl2 1,1,2-trichloroethane 10.476 10.260 0.216
CH4 Methane 2.667 2.448 0.219
C6H12 Cyclohexane 11.224 11.000 0.224
C2H6O2S Dimethyl sulfone 8.629 8.401 0.228
C2H5Br Ethyl bromide 7.517 7.280 0.236
CHClCHCl Ethene, 1,2-dichloro-, (E)- 8.399 8.150 0.248
CH3CH2SH ethanethiol 7.629 7.380 0.250
CH3OCH3 Dimethyl ether 5.410 5.160 0.250
C5H8O Cyclopentanone 9.506 9.250 0.256
CH3CH2COOH Propanoic Acid 7.220 6.960 0.260
CF2Cl2 difluorodichloromethane 6.636 6.370 0.266
CHF2Cl difluorochloromethane 4.712 4.440 0.272
CH3CH2NH2 Ethylamine 6.143 5.870 0.274
SeF6 Selenium hexafluoride 5.606 5.320 0.286
C2H6O2 1,2-Ethanediol 5.996 5.710 0.286
CH2ClCH2OH 2-Chloroethanol 7.167 6.880 0.287
CHCCH2CH3 1-Butyne 7.701 7.410 0.291
C2H6 Ethane 4.517 4.226 0.291
CH3OCHO methyl formate 5.344 5.050 0.294
CH2CHCHO Acrolein 6.683 6.379 0.303
CH3CH2SH ethanethiol 7.683 7.380 0.304
CH3CCl3 Ethane, 1,1,1-trichloro- 10.428 10.120 0.308
CH3CH(NH2)CH3 2-Propanamine 8.078 7.769 0.309
CHONH2 formamide 4.389 4.080 0.309
CHONH2 formamide 4.389 4.080 0.309
CFCl3 Trichloromonofluoromethane 8.559 8.249 0.310
CH3CN Acetonitrile 4.590 4.280 0.311
CH3CH2CHO Propanal 6.660 6.350 0.311
CH3CH2CH2CH3 Butane 8.330 8.020 0.311
C2H6 Ethane 4.537 4.226 0.311
CH3CHCl2 Ethane, 1,1-dichloro- 8.474 8.161 0.313
NH2CH2CH2CH3 1-Propanamine 8.021 7.700 0.322
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.328 8.000 0.327
CH2CHCH3 Propene 6.323 5.990 0.334
CH3COCH2CH3 2-Butanone 8.530 8.190 0.340
CH3NH2 methyl amine 4.097 3.754 0.343
CH3NH2 methyl amine 4.097 3.754 0.343
C6H10O cyclohexanone 11.407 11.061 0.346
CHCl3 Chloroform 8.492 8.129 0.363
C4H5N Pyrrole 8.304 7.940 0.365
CH3CH(CH3)CN Propanenitrile, 2-methyl- 8.424 8.049 0.375
CH2CCl2 Ethene, 1,1-dichloro- 8.208 7.830 0.378
SiH4 Silane 5.170 4.777 0.393
CH3CH2CH2CH3 Butane 8.429 8.020 0.409
CH3COCH3 Acetone 6.679 6.270 0.409
C3H4N2 1H-Imidazole 7.507 7.090 0.417
C2H8N2 Ethylenediamine 7.618 7.200 0.418
CHOCH2CH2CH3 Butanal 8.603 8.180 0.423
CH3CH(CH3)CH3 Isobutane 8.433 8.009 0.424
CH2C(CH3)CH3 1-Propene, 2-methyl- 8.314 7.880 0.433
C5H10O 3-Pentanone 10.378 9.930 0.448
C3H7NO dimethylformamide 8.271 7.809 0.462
CH3COOCH3 methyl acetate 7.274 6.811 0.463
CCl4 Carbon tetrachloride 10.468 10.002 0.465
C6H5CHO benzaldehyde 13.286 12.800 0.486
CH2CHCH2CH3 1-Butene 8.317 7.830 0.487
PH3 Phosphine 4.736 4.237 0.500
C5H12 Pentane 10.387 9.879 0.507
C6H5OH phenol 11.421 10.909 0.511
C6H5OCH3 Anisole 13.624 13.100 0.525
CH3SOCH3 Dimethyl sulfoxide 8.499 7.969 0.530
C6H6 Benzene 10.497 9.959 0.538
CH3CONH2 Acetamide 6.216 5.670 0.546
C3H7OH 1-Propanol 7.222 6.670 0.552
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.553 8.000 0.553
C3H8 Propane 6.481 5.921 0.559
CH3CHO Acetaldehyde 4.839 4.278 0.561
C5H10O 2-Pentanone 10.492 9.930 0.562
C3H7ONO Propyl nitrite 9.092 8.500 0.593
CHClCCl2 Trichloroethylene 10.345 9.751 0.595
C4H10O 1-Butanol 9.174 8.570 0.605
C6H4O2 parabenzoquinone 11.837 11.229 0.607
CH3CHOHCH3 Isopropyl alcohol 7.280 6.670 0.610
C4H8O2 Ethyl acetate 9.257 8.620 0.637
C4H8O2 1,4-Dioxane 9.081 8.430 0.651
C3H6O3 1,3,5-Trioxane 7.675 7.020 0.655
C4H10O Ethoxy ethane 9.398 8.730 0.668
C6H12 hex-1-ene 12.321 11.650 0.671
CH2CHCH2CH2CH3 1-pentene 10.321 9.650 0.671
C3H8O3 1,2,3-Propanetriol 8.534 7.860 0.674
C4H4S Thiophene 9.690 9.010 0.681
CH3NHCH3 Dimethylamine 6.168 5.447 0.721
C6H14 Hexane 12.368 11.630 0.738
C3H2N2 Malononitrile 6.605 5.790 0.815
C4H2 Diacetylene 7.635 6.811 0.824
C6H5Cl chlorobenzene 12.737 11.861 0.876
C10H8 naphthalene 18.280 17.400 0.880
C6H5NH2 aniline 12.508 11.581 0.928
C6H5CHCH2 Styrene 15.349 14.409 0.940
C7H16 heptane 14.359 13.371 0.988
C3H5Cl 1-Propene, 3-chloro- 8.391 7.400 0.991
C5H8 Spiropentane 9.096 8.049 1.047
C6H5NO2 Nitrobenzene 13.365 12.259 1.106
C8H18 Octane 16.360 15.239 1.120
C2H5SC2H5 Diethyl sulfide 11.765 10.549 1.216
N(CH3)3 Trimethylamine 8.316 7.076 1.240
C6H5CN phenyl cyanide 13.262 11.981 1.282
C10H22 Decane 20.389 19.100 1.289
C6H4Cl2 1,3-dichlorobenzene 15.082 13.729 1.353
C6F6 hexafluorobenzene 11.001 9.580 1.421
C5H12 Butane, 2-methyl- 10.300 8.770 1.531
C10H8 Azulene 19.797 15.520 4.277