| SUMMARY of ROTATION | |||||
| H2 | HF | CO | |||
| Model | R2 | Model | R2 | Model | R2 |
| N | 0.9984 | N | 0.9994 | N | 0.9999 |
| PCR | 0.9980 | PCR | 0.9989 | PCR | 0.9983 |
| PCR2 | 0.9996 | PCR2 | 0.9998 | PCR2 | 0.9997 |
| Rigid rotor (2B = 170.4 cm−1) | 0.9964 | Rigid rotor (2B = 41.12 cm−1) | 0.9988 | Rigid rotor (2B = 11.43 cm−1) | 0.9999 |
| Elastic rotor | 0.9985 | Elastic rotor | 0.9998 | Elastic rotor | 1 |