Vibrational Frequencies calculated at MP3/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 |
3200 |
3200 |
0.00 |
|
|
|
| 2 |
Ag |
1716 |
1716 |
0.00 |
|
|
|
| 3 |
Ag |
1395 |
1395 |
0.00 |
|
|
|
| 4 |
Au |
1074 |
1074 |
0.00 |
|
|
|
| 5 |
B1u |
3183 |
3183 |
11.62 |
|
|
|
| 6 |
B1u |
1497 |
1497 |
8.97 |
|
|
|
| 7 |
B2g |
978 |
978 |
0.00 |
|
|
|
| 8 |
B2u |
3291 |
3291 |
18.50 |
|
|
|
| 9 |
B2u |
835 |
835 |
0.04 |
|
|
|
| 10 |
B3g |
3265 |
3265 |
0.00 |
|
|
|
| 11 |
B3g |
1259 |
1259 |
0.00 |
|
|
|
| 12 |
B3u |
992 |
992 |
93.34 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11341.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11341.2 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.