Table 1. Polarizabilities (Å3).
| Molecule | α (A3) | Ref. |
|---|---|---|
| H2O | 1.45 | 12b |
| CH4 | 2.59 | 19 |
| HCN | 2.59 | 13 |
| HCl | 2.63 | 13 |
| (H2O)2 | 2.88 | a |
| CO2 | 2.91 | 16 |
| CH3OH | 3.23 | 12a |
| CHCH | 3.33 | 13 |
| CH3NH2 | 4.01 | 14 |
| CH2CH2 | 4.25 | 17 |
| CH3CH3 | 4.48 | 13 |
| CH3CN | 4.48 | 18 |
| CH3CHO | 4.59 | 18 |
| CH3Cl | 4.72 | 15 |
| CH2CHOH | 4.85 | a |
| CH3CH2OH | 5.11 | 18 |
| CH3OCH3 | 5.16 | 12a |
| CH3SH | 5.49 | a |
| CH3C(O)NH2 | 5.67 | 18 |
| CHCCH3 | 6.18 | 12b |
| CH2CHCH3 | 6.26 | 12b |
| CH3C(O)CH3 | 6.33 | 12a |
| CH3CH2CH3 | 6.38 | 12b |
| H2NCH2COOH | 6.52 | a |
| CH3C(O)Cl | 6.62 | 12b |
| CH3CHOHCH3 | 7.61 | 12b |
| CH3SCH3 | 7.39 | a |
| pyrimidine | 8.53 | 20 |
| s-trans-butadiene | 8.64 | 12b |
| pyridine | 9.18 | 21 |
| diethyl amine | 9.61 | 21 |
| benzene | 10.32 | 13 |
| phenol | 11.10 | 12b |
| toluene | 12.26 | 12a |
| nicotinamide | 12.19 | b |
| purine | 12.78 | c |
| benzaldehyde | 12.80 | c |
| benzyl alcohol | 13.15 | c |
a
present work, calculated by MP2/aug-cc-pVTZ//MP2/aug-cc-pVDZ.
b
present work, calculated by HF/aug-cc-pVDZ.
c
present work, calculated by MP2/aug-cc-pVDZ.