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Table C.4.
Harmonic vibrational frequencies of MgCCCCH calculated at the CCSD(T)/cc-pVTZ level.
| Mode | Symmetry | Frequency | IR intensity (a) |
|---|---|---|---|
| (cm−1) | (km mole−1) | ||
| 1 | π | 71 | 6.94 |
| 2 | π | 253 | 0.10 |
| 3 | σ | 403 | 85.13 |
| 4 | π | 502 | 0.56 |
| 5 | π | 607 | 40.38 |
| 6 | σ | 949 | 62.00 |
| 7 | σ | 2033 | 53.86 |
| 8 | σ | 2213 | 2.72 |
| 9 | σ | 3460 | 95.99 |
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