Open Access
Table 4.
Harmonic vibrational frequencies of cyanoketene determined at the wB97XD/6-311++G(d,p) level of theory and basis set.
| Mode | Frequency |
|---|---|
| (cm−1) | |
| 1 | 147.0412 |
| 2 | 396.4186 |
| 3 | 426.5524 |
| 4 | 534.6230 |
| 5 | 607.2004 |
| 6 | 668.5193 |
| 7 | 987.6967 |
| 8 | 1138.4369 |
| 9 | 1417.8312 |
| 10 | 2284.9982 |
| 11 | 2380.7996 |
| 12 | 3223.3903 |
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