|   | Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | 
| You are here: Comparisons > Electrostatics > Polarizability > Several molecules | |
| species | name | calculated | experimental | difference | 
|---|---|---|---|---|
| SiH3Cl | chlorosilane | 6.416 | 9.113 | -2.697 | 
| CS2 | Carbon disulfide | 8.160 | 8.749 | -0.588 | 
| BCl3 | Borane, trichloro- | 8.214 | 8.700 | -0.486 | 
| BrCN | Cyanogen bromide | 5.488 | 5.824 | -0.336 | 
| CH2Cl2 | Methylene chloride | 6.411 | 6.659 | -0.248 | 
| C3H6 | Cyclopropane | 5.432 | 5.640 | -0.208 | 
| C2H4O | Ethylene oxide | 4.259 | 4.431 | -0.172 | 
| CH3SCH3 | Dimethyl sulfide | 7.388 | 7.550 | -0.162 | 
| NO2 | Nitrogen dioxide | 2.751 | 2.910 | -0.160 | 
| CH3Br | methyl bromide | 5.468 | 5.610 | -0.142 | 
| AsH3 | Arsine | 5.326 | 5.468 | -0.142 | 
| CH2CHCHO | Acrolein | 6.240 | 6.379 | -0.139 | 
| N2O | Nitrous oxide | 2.866 | 2.998 | -0.131 | 
| CH2CO | Ketene | 4.280 | 4.400 | -0.120 | 
| H2CO | Formaldehyde | 2.659 | 2.770 | -0.110 | 
| H2Se | Hydrogen selenide | 4.663 | 4.770 | -0.107 | 
| CH2F2 | Methane, difluoro- | 2.656 | 2.761 | -0.105 | 
| CH3OCH3 | Dimethyl ether | 5.061 | 5.160 | -0.098 | 
| CH2Br2 | dibromomethane | 8.590 | 8.680 | -0.090 | 
| As4 | Arsenic tetramer | 17.210 | 17.293 | -0.083 | 
| HCN | Hydrogen cyanide | 2.527 | 2.593 | -0.066 | 
| NF3 | Nitrogen trifluoride | 2.746 | 2.810 | -0.064 | 
| CH3CCH | propyne | 5.493 | 5.550 | -0.057 | 
| B2H6 | Diborane | 5.064 | 5.115 | -0.052 | 
| OCS | Carbonyl sulfide | 5.039 | 5.090 | -0.051 | 
| Cl2 | Chlorine diatomic | 4.560 | 4.610 | -0.050 | 
| C2H4 | Ethylene | 4.143 | 4.188 | -0.044 | 
| HBr | hydrogen bromide | 3.575 | 3.616 | -0.040 | 
| C4H4O | Furan | 7.190 | 7.230 | -0.040 | 
| C6H5CHO | benzaldehyde | 12.767 | 12.800 | -0.033 | 
| CH3OH | Methyl alcohol | 3.179 | 3.210 | -0.030 | 
| CHF3 | Methane, trifluoro- | 2.777 | 2.801 | -0.024 | 
| CO | Carbon monoxide | 1.934 | 1.953 | -0.019 | 
| C2H5CN | ethyl cyanide | 6.222 | 6.240 | -0.018 | 
| CH3Cl | Methyl chloride | 4.408 | 4.416 | -0.008 | 
| O2 | Oxygen diatomic | 1.556 | 1.562 | -0.006 | 
| C2H2 | Acetylene | 3.489 | 3.487 | 0.002 | 
| SO2 | Sulfur dioxide | 3.887 | 3.882 | 0.005 | 
| HCOOH | Formic acid | 3.325 | 3.319 | 0.006 | 
| CH3F | Methyl fluoride | 2.556 | 2.540 | 0.016 | 
| CH3COCH3 | Acetone | 6.288 | 6.270 | 0.018 | 
| NO | Nitric oxide | 1.718 | 1.698 | 0.020 | 
| CF3Cl | Methane, chlorotrifluoro- | 4.675 | 4.650 | 0.025 | 
| CO2 | Carbon dioxide | 2.535 | 2.507 | 0.028 | 
| NH3 | Ammonia | 2.138 | 2.103 | 0.035 | 
| HF | Hydrogen fluoride | 0.838 | 0.800 | 0.038 | 
| H2 | Hydrogen diatomic | 0.828 | 0.787 | 0.041 | 
| SiH4 | Silane | 4.819 | 4.777 | 0.042 | 
| CH2CHCHO | Acrolein | 6.425 | 6.379 | 0.046 | 
| N2 | Nitrogen diatomic | 1.758 | 1.710 | 0.048 | 
| CH2CHCH3 | Propene | 6.044 | 5.990 | 0.054 | 
| H2S | Hydrogen sulfide | 3.700 | 3.631 | 0.069 | 
| C2H6 | Ethane | 4.303 | 4.226 | 0.076 | 
| F2 | Fluorine diatomic | 1.238 | 1.160 | 0.078 | 
| CH3SOCH3 | Dimethyl sulfoxide | 8.049 | 7.969 | 0.080 | 
| HCOOH | Formic acid | 3.399 | 3.319 | 0.080 | 
| CH4 | Methane | 2.528 | 2.448 | 0.080 | 
| HCl | Hydrogen chloride | 2.602 | 2.515 | 0.088 | 
| C3H7OH | 1-Propanol | 6.770 | 6.670 | 0.100 | 
| C2H5Br | Ethyl bromide | 7.381 | 7.280 | 0.101 | 
| C4H8O2 | Ethyl acetate | 8.727 | 8.620 | 0.108 | 
| CH3NH2 | methyl amine | 3.871 | 3.754 | 0.117 | 
| SO3 | Sulfur trioxide | 4.421 | 4.297 | 0.123 | 
| CH3CN | Acetonitrile | 4.408 | 4.280 | 0.128 | 
| CF2Cl2 | difluorodichloromethane | 6.562 | 6.370 | 0.192 | 
| C3H8 | Propane | 6.119 | 5.921 | 0.198 | 
| Br2 | Bromine diatomic | 6.634 | 6.431 | 0.202 | 
| C6H6 | Benzene | 10.212 | 9.959 | 0.252 | 
| CH3CHO | Acetaldehyde | 4.539 | 4.278 | 0.261 | 
| CHCl3 | Chloroform | 8.411 | 8.129 | 0.282 | 
| CH3SH | Methanethiol | 5.507 | 5.186 | 0.320 | 
| CCl4 | Carbon tetrachloride | 10.354 | 10.002 | 0.352 | 
| PH3 | Phosphine | 4.600 | 4.237 | 0.363 | 
| CH2CCH2 | allene | 6.093 | 5.690 | 0.403 | 
| GeH4 | Germane | 5.268 | 4.770 | 0.498 | 
| N2 | Nitrogen diatomic | 2.574 | 1.710 | 0.864 |