Vibrational Frequencies calculated at MP2=FULL/cc-pVDZ
| 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 |
3738 |
3553 |
63.83 |
|
|
|
| 2 |
A |
3512 |
3338 |
21.40 |
|
|
|
| 3 |
A |
1595 |
1516 |
76.42 |
|
|
|
| 4 |
A |
1581 |
1503 |
110.91 |
|
|
|
| 5 |
A |
1259 |
1196 |
93.15 |
|
|
|
| 6 |
A |
1113 |
1058 |
47.39 |
|
|
|
| 7 |
A |
702 |
667 |
12.17 |
|
|
|
| 8 |
A |
623 |
592 |
2.82 |
|
|
|
| 9 |
A |
362 |
344 |
272.74 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7242.6 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 6883.3 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.