Vibrational Frequencies calculated at MP3=FULL/cc-pCVTZ
| 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 |
3205 |
3205 |
0.00 |
|
|
|
| 2 |
Ag |
1720 |
1720 |
0.00 |
|
|
|
| 3 |
Ag |
1398 |
1398 |
0.00 |
|
|
|
| 4 |
Au |
1076 |
1076 |
0.00 |
|
|
|
| 5 |
B1u |
3188 |
3188 |
11.41 |
|
|
|
| 6 |
B1u |
1499 |
1499 |
9.39 |
|
|
|
| 7 |
B2g |
983 |
983 |
0.00 |
|
|
|
| 8 |
B2u |
3296 |
3296 |
17.91 |
|
|
|
| 9 |
B2u |
837 |
837 |
0.06 |
|
|
|
| 10 |
B3g |
3270 |
3270 |
0.00 |
|
|
|
| 11 |
B3g |
1261 |
1261 |
0.00 |
|
|
|
| 12 |
B3u |
994 |
994 |
93.95 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11363.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11363.6 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.