Vibrational Frequencies calculated at MP2=FULL/CEP-121G
| 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 |
3107 |
2929 |
0.00 |
|
|
|
| 2 |
Ag |
1627 |
1534 |
0.00 |
|
|
|
| 3 |
Ag |
1363 |
1285 |
0.00 |
|
|
|
| 4 |
Au |
1034 |
975 |
0.00 |
|
|
|
| 5 |
B1u |
3081 |
2904 |
25.74 |
|
|
|
| 6 |
B1u |
1498 |
1412 |
5.30 |
|
|
|
| 7 |
B2g |
782 |
737 |
0.00 |
|
|
|
| 8 |
B2u |
3215 |
3030 |
56.53 |
|
|
|
| 9 |
B2u |
832 |
784 |
1.88 |
|
|
|
| 10 |
B3g |
3184 |
3001 |
0.00 |
|
|
|
| 11 |
B3g |
1245 |
1174 |
0.00 |
|
|
|
| 12 |
B3u |
953 |
898 |
130.95 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10959.8 cm
-1
Scaled (by 0.9427) Zero Point Vibrational Energy (zpe) 10331.8 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.