Vibrational Frequencies calculated at MP2/aug-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 |
A1 |
3303 |
3168 |
3.38 |
|
|
|
| 2 |
A1 |
1756 |
1684 |
60.72 |
|
|
|
| 3 |
A1 |
1267 |
1215 |
33.04 |
|
|
|
| 4 |
A1 |
999 |
958 |
66.84 |
|
|
|
| 5 |
A1 |
231 |
222 |
2.05 |
|
|
|
| 6 |
A2 |
820 |
787 |
0.00 |
|
|
|
| 7 |
A2 |
502 |
481 |
0.00 |
|
|
|
| 8 |
B1 |
770 |
739 |
47.62 |
|
|
|
| 9 |
B2 |
3280 |
3145 |
7.28 |
|
|
|
| 10 |
B2 |
1376 |
1319 |
26.02 |
|
|
|
| 11 |
B2 |
1124 |
1078 |
111.25 |
|
|
|
| 12 |
B2 |
761 |
730 |
32.85 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8094.3 cm
-1
Scaled (by 0.959) Zero Point Vibrational Energy (zpe) 7762.4 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.