Vibrational Frequencies calculated at MP2/aug-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 |
A1 |
3289 |
3134 |
3.48 |
|
|
|
| 2 |
A1 |
1764 |
1681 |
65.40 |
|
|
|
| 3 |
A1 |
1289 |
1228 |
36.30 |
|
|
|
| 4 |
A1 |
1025 |
977 |
61.66 |
|
|
|
| 5 |
A1 |
233 |
222 |
2.06 |
|
|
|
| 6 |
A2 |
851 |
811 |
0.00 |
|
|
|
| 7 |
A2 |
514 |
490 |
0.00 |
|
|
|
| 8 |
B1 |
782 |
745 |
46.55 |
|
|
|
| 9 |
B2 |
3263 |
3109 |
7.46 |
|
|
|
| 10 |
B2 |
1401 |
1335 |
32.53 |
|
|
|
| 11 |
B2 |
1155 |
1101 |
114.46 |
|
|
|
| 12 |
B2 |
776 |
740 |
30.41 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8171.3 cm
-1
Scaled (by 0.9529) Zero Point Vibrational Energy (zpe) 7786.4 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.