Experimental rotational frequencies (cm⁻¹)^c

Calculated from Equation (5)

Calculated from Equation (6)

Calculated from Equation (3) rigid rotor (2B = 170.4)

Calculated PCR²

170.4

186.0

195.9

170.4

178.6

339.3

341.2

328.6

340.8

327.4

504.8

496.5

491.7

511.2

502.7

665.4

651.8

654.8

681.6

669.7

819.7

807.0

812.8

852.0

823.8

965.7

962.3

965.8

1022.4

965.5

1096.9

1117.5

1112.5

1192.8

1094.6