Research Article
Rovibrational Interaction and Vibrational Constants of the Symmetric Top Molecule 14NF3
Table 4
Harmonic wavenumber constants of 14NF3 (in cm−1).
| Harmonic wavenumber | Experimental value, this work | Ab initio unscaled value, [22] | Ab initio value TZ2Pf, [18] |
| | — | 1042.8 | 1053.8 | | 648.140120 (18) | 659.3 | 660.7 | | 909.84264 (43) | 905.0 | 935.7 | | 493.534359 (52) | 500.6 | 502.8 |
|
|
Numbers in parentheses represent one standard deviation in units of the last digit quoted.
|