Vibrational Frequencies calculated at MP3=FULL/daug-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 |
Ag |
3193 |
3193 |
0.00 |
|
|
|
| 2 |
Ag |
1697 |
1697 |
0.00 |
|
|
|
| 3 |
Ag |
1381 |
1381 |
0.00 |
|
|
|
| 4 |
Au |
1057 |
1057 |
0.00 |
|
|
|
| 5 |
B1u |
3177 |
3177 |
14.16 |
|
|
|
| 6 |
B1u |
1481 |
1481 |
7.19 |
|
|
|
| 7 |
B2g |
1017 |
1017 |
0.00 |
|
|
|
| 8 |
B2u |
3292 |
3292 |
21.75 |
|
|
|
| 9 |
B2u |
826 |
826 |
0.01 |
|
|
|
| 10 |
B3g |
3263 |
3263 |
0.00 |
|
|
|
| 11 |
B3g |
1235 |
1235 |
0.00 |
|
|
|
| 12 |
B3u |
991 |
991 |
92.45 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11304.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11304.8 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.