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Comparison of polarizabilities for SVWN/6-31G**

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.802    
C16H10 Pyrene 25.811 29.720 -3.909
PBr3 Phosphorus tribromide 11.151 14.380 -3.229
CSe2 Carbon diselenide 8.186 11.269 -3.083
AsCl3 Arsenous trichloride 8.654 11.370 -2.716
CH2CHCHCH2 1,3-Butadiene 6.267 8.881 -2.614
(CH3)3CC(CH3)3 tetramethylbutane 13.063 15.610 -2.547
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.264 8.401 -2.137
C9H20 Nonane 15.297 17.370 -2.074
C6H15N triethylamine 11.412 13.380 -1.968
Cl2 Chlorine diatomic 2.642 4.610 -1.968
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.050 8.000 -1.950
C6H4Cl2 1,3-dichlorobenzene 11.798 13.729 -1.931
C6H12 hex-1-ene 9.960 11.650 -1.690
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.824 6.499 -1.675
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.874 6.499 -1.625
CH3CH2SH ethanethiol 5.760 7.380 -1.620
CH2ClCH2OH 2-Chloroethanol 5.303 6.880 -1.577
C3H7OC3H7 di-n-propyl ether 10.788 12.219 -1.432
C5H8O Cyclopentanone 7.821 9.250 -1.429
H2S Hydrogen sulfide 2.237 3.631 -1.394
C4H2 Diacetylene 5.464 6.811 -1.346
C3H7OC3H7 di-n-propyl ether 10.881 12.219 -1.338
CH3CH2COOH Propanoic Acid 5.677 6.960 -1.284
C2H2 Acetylene 2.213 3.487 -1.274
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.814 8.049 -1.236
HCl Hydrogen chloride 1.293 2.515 -1.222
C4H10O 1-Butanol 7.379 8.570 -1.191
SiH4 Silane 3.588 4.777 -1.189
C4H8O2 Ethyl acetate 7.461 8.620 -1.159
CH2CHCH3 Propene 4.841 5.990 -1.148
C2H4 Ethylene 3.041 4.188 -1.147
SeF6 Selenium hexafluoride 4.189 5.320 -1.131
C3H6 Cyclopropane 4.520 5.640 -1.120
C3H7ONO Propyl nitrite 7.387 8.500 -1.113
C2N2 Cyanogen 3.943 5.015 -1.072
CHONH2 formamide 3.106 4.080 -0.974
CHONH2 formamide 3.106 4.080 -0.974
SO2 Sulfur dioxide 2.909 3.882 -0.974
NO2 Nitrogen dioxide 1.963 2.910 -0.948
N2O Nitrous oxide 2.144 2.998 -0.854
NH3 Ammonia 1.291 2.103 -0.812
HCN Hydrogen cyanide 1.781 2.593 -0.812
CH3NH2 methyl amine 2.966 3.754 -0.788
C2H6 Ethane 3.469 4.226 -0.757
CH3OH Methyl alcohol 2.454 3.210 -0.756
H2CO Formaldehyde 2.039 2.770 -0.730
H2O Water 0.805 1.501 -0.696
C2H6 Ethane 3.554 4.226 -0.673
BF3 Borane, trifluoro- 1.751 2.420 -0.669
CO2 Carbon dioxide 1.878 2.507 -0.629
O2 Oxygen diatomic 1.011 1.562 -0.551
CH3F Methyl fluoride 2.006 2.540 -0.534
CH4 Methane 1.928 2.448 -0.520
CO Carbon monoxide 1.436 1.953 -0.517
N2 Nitrogen diatomic 1.280 1.710 -0.430
F2 Fluorine diatomic 0.748 1.160 -0.412
H2 Hydrogen diatomic 0.396 0.787 -0.391
HF Hydrogen fluoride 0.432 0.800 -0.368
H2+ Hydrogen cation 0.340 0.469 -0.129
C10H8 Azulene 16.247 15.520 0.727