Experimental frequency (cm−1)d | ∆ frequencies | Calculated from Equation (3) (B = 20.56 cm−1) | Calculated from Equation (7) | Calculated from Equation (8) |
41.08 |
| 41.12 | 48.65 | 38.27 |
82.19 | 41.11 | 82.24 | 87.40 | 74.90 |
123.15 | 40.96 | 123.36 | 126.15 | 119.90 |
164.01 | 40.85 | 164.48 | 164.90 | 164.90 |
204.62 | 40.62 | 205.6 | 203.65 | 208.51 |
244.93 | 40.31 | 246.72 | 242.40 | 250.72 |
285.01 | 40.08 | 287.84 | 281.15 | 291.19 |
324.65 | 39.64 | 328.96 | 319.90 | 330.26 |
363.93 | 39.28 | 370.08 | 358.65 | 367.93 |
402.82 | 38.89 | 411.2 | 397.40 | 404.21 |
441.13 | 38.31 | 452.32 | 436.15 | 439.80 |
478.94 | 37.81 | 493.44 | 474.90 | 474.33 |
516.20 | 37.26 | 534.56 | 513.65 | 507.82 |