Vibrational Frequencies calculated at MP4/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 |
Ag |
1534 |
1487 |
|
|
|
|
| 2 |
Ag |
272 |
263 |
|
|
|
|
| 3 |
Ag |
145 |
141 |
|
|
|
|
| 4 |
Au |
57 |
56 |
|
|
|
|
| 5 |
B1u |
641 |
622 |
|
|
|
|
| 6 |
B1u |
190 |
184 |
|
|
|
|
| 7 |
B2g |
473 |
459 |
|
|
|
|
| 8 |
B2u |
790 |
766 |
|
|
|
|
| 9 |
B2u |
117 |
114 |
|
|
|
|
| 10 |
B3g |
896 |
869 |
|
|
|
|
| 11 |
B3g |
215 |
208 |
|
|
|
|
| 12 |
B3u |
248 |
240 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2789.3 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 2703.4 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.