Vibrational Frequencies calculated at CID/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 |
3236 |
2998 |
0.00 |
|
|
|
| 2 |
Ag |
1750 |
1622 |
0.00 |
|
|
|
| 3 |
Ag |
1419 |
1315 |
0.00 |
|
|
|
| 4 |
Au |
1093 |
1013 |
0.00 |
|
|
|
| 5 |
B1u |
3214 |
2978 |
12.00 |
|
|
|
| 6 |
B1u |
1521 |
1409 |
9.89 |
|
|
|
| 7 |
B2g |
1016 |
942 |
0.00 |
|
|
|
| 8 |
B2u |
3322 |
3078 |
18.88 |
|
|
|
| 9 |
B2u |
849 |
787 |
0.05 |
|
|
|
| 10 |
B3g |
3295 |
3053 |
0.00 |
|
|
|
| 11 |
B3g |
1280 |
1186 |
0.00 |
|
|
|
| 12 |
B3u |
1020 |
945 |
96.39 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11507.6 cm
-1
Scaled (by 0.9265) Zero Point Vibrational Energy (zpe) 10661.8 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.