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Comparison of polarizabilities for PBE1PBE/6-31+G**

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 8.065    
PBr3 Phosphorus tribromide 12.299 14.380 -2.081
CSe2 Carbon diselenide 9.225 11.269 -2.045
AsCl3 Arsenous trichloride 9.460 11.370 -1.910
BeH2 beryllium dihydride 2.490 4.340 -1.850
HCCCl Chloroacetylene 4.441 6.070 -1.629
(CH3)3CC(CH3)3 tetramethylbutane 14.014 15.610 -1.596
Cl2 Chlorine diatomic 3.094 4.610 -1.516
CH2CHCHCH2 1,3-Butadiene 7.380 8.881 -1.501
P Phosphorus atom 2.164 3.630 -1.466
C9H20 Nonane 16.043 17.370 -1.327
H2Se Hydrogen selenide 3.474 4.770 -1.296
C10H22 Decane 17.822 19.100 -1.277
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.826 8.000 -1.175
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 7.235 8.401 -1.166
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.338 6.499 -1.162
C16H10 Pyrene 28.601 29.720 -1.118
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.389 6.499 -1.111
SiH4 Silane 3.708 4.777 -1.070
C6H15N triethylamine 12.316 13.380 -1.063
H2S Hydrogen sulfide 2.578 3.631 -1.053
CH2ClCH2OH 2-Chloroethanol 5.886 6.880 -0.995
CH3CH2CH2CN Butanenitrile 7.423 8.400 -0.977
HCl Hydrogen chloride 1.541 2.515 -0.974
CH3CH2SH ethanethiol 6.432 7.380 -0.948
NH2CH2CH2CH3 1-Propanamine 6.825 7.700 -0.875
CHCCH2CH3 1-Butyne 6.570 7.410 -0.840
C3H7OC3H7 di-n-propyl ether 11.394 12.219 -0.825
PH3 Phosphine 3.437 4.237 -0.799
C3H7OC3H7 di-n-propyl ether 11.423 12.219 -0.796
C5H8O Cyclopentanone 8.482 9.250 -0.768
C6H12 hex-1-ene 10.884 11.650 -0.767
C4H10O 1-Butanol 7.824 8.570 -0.745
CH3CH2COOH Propanoic Acid 6.252 6.960 -0.709
C3H6 Cyclopropane 4.950 5.640 -0.690
C2H2 Acetylene 2.802 3.487 -0.685
N2H4 Hydrazine 2.820 3.460 -0.641
O3 Ozone 2.443 3.079 -0.636
C2N2 Cyanogen 4.394 5.015 -0.621
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.430 8.049 -0.620
C4H8O2 Ethyl acetate 8.027 8.620 -0.593
C2H4 Ethylene 3.608 4.188 -0.580
C2H6 Ethane 3.668 4.226 -0.559
CH3OH Methyl alcohol 2.656 3.210 -0.554
C3H7ONO Propyl nitrite 7.972 8.500 -0.527
NH3 Ammonia 1.575 2.103 -0.527
H2CO Formaldehyde 2.243 2.770 -0.526
CH2CHCH3 Propene 5.492 5.990 -0.498
C2H6 Ethane 3.733 4.226 -0.494
H2O Water 1.010 1.501 -0.491
CH3NH2 methyl amine 3.265 3.754 -0.489
HCN Hydrogen cyanide 2.110 2.593 -0.483
N2O Nitrous oxide 2.527 2.998 -0.471
SO2 Sulfur dioxide 3.422 3.882 -0.460
NO2 Nitrogen dioxide 2.452 2.910 -0.459
C4H2 Diacetylene 6.363 6.811 -0.447
CHONH2 formamide 3.637 4.080 -0.443
CHONH2 formamide 3.637 4.080 -0.443
CH4 Methane 2.014 2.448 -0.434
C3H8 Propane 5.492 5.921 -0.429
H2 Hydrogen diatomic 0.376 0.787 -0.412
CH3F Methyl fluoride 2.131 2.540 -0.408
C10H8 naphthalene 16.997 17.400 -0.403
SeF6 Selenium hexafluoride 4.924 5.320 -0.396
C3H4N2 1H-Imidazole 6.717 7.090 -0.373
BF3 Borane, trifluoro- 2.059 2.420 -0.360
O2 Oxygen diatomic 1.218 1.562 -0.344
C6H4Cl2 1,3-dichlorobenzene 13.390 13.729 -0.339
CO2 Carbon dioxide 2.181 2.507 -0.327
NO Nitric oxide 1.411 1.698 -0.287
O2 Oxygen diatomic 1.285 1.562 -0.277
HF Hydrogen fluoride 0.563 0.800 -0.237
CO Carbon monoxide 1.738 1.953 -0.215
N2 Nitrogen diatomic 1.529 1.710 -0.181
F2 Fluorine diatomic 0.988 1.160 -0.172
H2+ Hydrogen cation 0.308 0.469 -0.161
C24H12 Coronene 43.725 42.499 1.226
C10H8 Azulene 18.701 15.520 3.181