Open Access
Table A.2
Anharmonic frequencies (cm−1) for the singlyexcited vibrational levels of PGIM isomers.
| Level | Symmetry | Z-PGIM | E-PGIM |
|---|---|---|---|
| ν1 | A′ | 3322 | 3337 |
| ν2 | A′ | 3275 | 3286 |
| ν3 | A′ | 3028 | 2911 |
| ν4 | A′ | 2113 | 2121 |
| ν5 | A′ | 1592 | 1605 |
| ν6 | A′ | 1395 | 1385 |
| ν7 | A′ | 1224 | 1224 |
| ν8 | A′ | 922 | 916 |
| ν9 | A′ | 640 | 643 |
| ν10 | A′ | 591 | 596 |
| ν11 | A′ | 211 | 219 |
| ν12 | A′′ | 1099 | 1074 |
| ν13 | A′′ | 817 | 795 |
| ν14 | A′′ | 646 | 651 |
| ν15 | A′′ | 289 | 285 |
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