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]
𝜔1^0	—	1042.8	1053.8
𝜔2^0	648.140120 (18)	659.3	660.7
𝜔3^0	909.84264 (43)	905.0	935.7
𝜔4^0	493.534359 (52)	500.6	502.8

Numbers in parentheses represent one standard deviation in units of the last digit quoted.