| Reference Label | Details |
|---|---|
| Ruscic G3B3LYP | G3B3LYP calculation; B3LYP/6-31G(d) frequencies are scaled by 0.9614 (see Scott 1996) |
| est unc | estimated uncertainty |
| Grunenberg 2003 | J. Grunenberg, R. Streubel, G. von Frantzius, and W. Marten, J. Chem. Phys. 119, 165 (2003) |