Vibrational Frequencies calculated at MP2/cc-pVTZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A |
3768 |
3578 |
51.95 |
|
|
|
| 2 |
A |
1929 |
1832 |
241.01 |
|
|
|
| 3 |
A |
1426 |
1354 |
61.57 |
|
|
|
| 4 |
A |
1318 |
1251 |
193.10 |
|
|
|
| 5 |
A |
987 |
938 |
35.23 |
|
|
|
| 6 |
A |
790 |
750 |
152.98 |
|
|
|
| 7 |
A |
739 |
702 |
7.82 |
|
|
|
| 8 |
A |
661 |
627 |
34.85 |
|
|
|
| 9 |
A |
445 |
422 |
75.46 |
|
|
|
| 10 |
A |
372 |
353 |
52.96 |
|
|
|
| 11 |
A |
314 |
298 |
13.93 |
|
|
|
| 12 |
A |
148 |
140 |
10.45 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6448.1 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 6122.4 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.