Experimental rotational frequencies (cm1)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