Experimental wave number (cm−1) Unscaled | Theoretical wave number (cm−1) Scaled | PED Assignment (%) | Raman Activity |
---|---|---|---|
3375 | 3625 | Ï…OH (100) | 2.2304 |
3063 | 3067 | AsyÏ…CH (82) | 2.6607 |
2921 | 2940 | AsyÏ…CH (91) | 7.5811 |
1699 | 1697 | AsyÏ…OC (83) | 4.9258 |
1658 | 1648 | AsyÏ…CC(52) Ï…CC(11) | 7.0624 |
1618 | 1624 | AsyÏ…CC (45) | 15.2705 |
1588 | 1576 | βHOC (19) | 34.0269 |
1382 | 1391 | Ï…CC (40) | 38.9449 |