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Comparison of polarizabilities for MP2=FULL/daug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
N2 Nitrogen diatomic -2.328 1.710 -4.038
SiH3Cl chlorosilane 6.278 9.113 -2.835
NO2 Nitrogen dioxide 1.351 2.910 -1.559
BCl3 Borane, trichloro- 8.214 8.700 -0.485
BrCN Cyanogen bromide 5.515 5.824 -0.309
CH2Cl2 Methylene chloride 6.406 6.659 -0.254
Si2H6 disilane 9.164 9.410 -0.245
O2 Oxygen diatomic 1.380 1.562 -0.182
AsH3 Arsine 5.288 5.468 -0.180
NO Nitric oxide 1.530 1.698 -0.168
C2H4S Thiirane 6.752 6.910 -0.158
CH3Br methyl bromide 5.452 5.610 -0.158
SiH4 Silane 4.624 4.777 -0.154
C3H6 Cyclopropane 5.491 5.640 -0.149
CH2Br2 dibromomethane 8.533 8.680 -0.147
CH3SCH3 Dimethyl sulfide 7.414 7.550 -0.136
H2Se Hydrogen selenide 4.634 4.770 -0.136
B2H6 Diborane 4.983 5.115 -0.132
CH3OCH3 Dimethyl ether 5.043 5.160 -0.117
CH3CCH propyne 5.440 5.550 -0.110
CH3CH2OH Ethanol 5.005 5.112 -0.107
CH2CHCHO Acrolein 6.274 6.379 -0.105
C2H4O Ethylene oxide 4.328 4.431 -0.102
CH2F2 Methane, difluoro- 2.663 2.761 -0.098
H2CO Formaldehyde 2.676 2.770 -0.094
CS2 Carbon disulfide 8.658 8.749 -0.091
HBr hydrogen bromide 3.528 3.616 -0.088
CH3CH2CHO Propanal 6.267 6.350 -0.083
HCN Hydrogen cyanide 2.541 2.593 -0.052
C2H4 Ethylene 4.139 4.188 -0.048
H2O Water 1.462 1.501 -0.039
CH3OH Methyl alcohol 3.187 3.210 -0.023
C2H5CN ethyl cyanide 6.218 6.240 -0.022
NF3 Nitrogen trifluoride 2.793 2.810 -0.016
CH3Cl Methyl chloride 4.406 4.416 -0.010
Cl2 Chlorine diatomic 4.602 4.610 -0.008
CH3CH2SH ethanethiol 7.371 7.380 -0.008
H2 Hydrogen diatomic 0.784 0.787 -0.003
C2H2 Acetylene 3.485 3.487 -0.001
CHF3 Methane, trifluoro- 2.801 2.801 0.001
CH3CH2SH ethanethiol 7.381 7.380 0.001
CH3F Methyl fluoride 2.550 2.540 0.010
CH2CHCH3 Propene 6.007 5.990 0.017
GeF4 Germanium tetrafluoride 4.071 4.050 0.021
CH3COCH3 Acetone 6.308 6.270 0.038
HF Hydrogen fluoride 0.840 0.800 0.040
CO Carbon monoxide 1.997 1.953 0.044
CF3Br Bromotrifluoromethane 5.695 5.650 0.045
CF3Cl Methane, chlorotrifluoro- 4.698 4.650 0.048
NH3 Ammonia 2.157 2.103 0.054
CH4 Methane 2.502 2.448 0.054
C2H6 Ethane 4.281 4.226 0.054
N2 Nitrogen diatomic 1.765 1.710 0.055
H2S Hydrogen sulfide 3.686 3.631 0.056
F2 Fluorine diatomic 1.219 1.160 0.059
C2H5Br Ethyl bromide 7.341 7.280 0.061
HCl Hydrogen chloride 2.576 2.515 0.061
CH2CHCHO Acrolein 6.442 6.379 0.062
N2O Nitrous oxide 3.062 2.998 0.064
CH2CO Ketene 4.489 4.400 0.089
C3H7OH 1-Propanol 6.768 6.670 0.098
HCOOH Formic acid 3.421 3.319 0.101
C4H4O Furan 7.347 7.230 0.117
CH3CN Acetonitrile 4.401 4.280 0.121
CH3NH2 methyl amine 3.879 3.754 0.125
HCOOH Formic acid 3.486 3.319 0.167
C3H8 Propane 6.093 5.921 0.172
C4H8O2 Ethyl acetate 8.805 8.620 0.185
CH3SOCH3 Dimethyl sulfoxide 8.168 7.969 0.199
CF2Cl2 difluorodichloromethane 6.570 6.370 0.200
CO2 Carbon dioxide 2.729 2.507 0.222
Br2 Bromine diatomic 6.667 6.431 0.236
OCS Carbonyl sulfide 5.331 5.090 0.241
C6H5CHO benzaldehyde 13.045 12.800 0.245
CHCl3 Chloroform 8.398 8.129 0.269
CH3CHO Acetaldehyde 4.547 4.278 0.269
GeH4 Germane 5.067 4.770 0.297
SO2 Sulfur dioxide 4.182 3.882 0.299
PH3 Phosphine 4.570 4.237 0.334
CH3SH Methanethiol 5.524 5.186 0.338
SF6 Sulfur Hexafluoride 4.830 4.490 0.340
CCl4 Carbon tetrachloride 10.347 10.002 0.344
CH2CCH2 allene 6.093 5.690 0.403
PF5 Phosphorus pentafluoride 4.114 3.650 0.464
SO3 Sulfur trioxide 4.788 4.297 0.491
C6H6 Benzene 10.500 9.959 0.540
As4 Arsenic tetramer 18.110 17.293 0.817