Vibrational Frequencies calculated at CID/aug-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 |
3233 |
3233 |
0.00 |
|
|
|
| 2 |
Ag |
1745 |
1745 |
0.00 |
|
|
|
| 3 |
Ag |
1416 |
1416 |
0.00 |
|
|
|
| 4 |
Au |
1067 |
1067 |
0.00 |
|
|
|
| 5 |
B1u |
3211 |
3211 |
11.96 |
|
|
|
| 6 |
B1u |
1517 |
1517 |
9.86 |
|
|
|
| 7 |
B2g |
1005 |
1005 |
0.00 |
|
|
|
| 8 |
B2u |
3319 |
3319 |
16.83 |
|
|
|
| 9 |
B2u |
846 |
846 |
0.00 |
|
|
|
| 10 |
B3g |
3291 |
3291 |
0.00 |
|
|
|
| 11 |
B3g |
1278 |
1278 |
0.00 |
|
|
|
| 12 |
B3u |
1014 |
1014 |
96.76 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11470.9 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11470.9 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.