Vibrational Frequencies calculated at CID/6-31G(2df,p)
| 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 |
3260 |
3260 |
0.00 |
|
|
|
| 2 |
Ag |
1755 |
1755 |
0.00 |
|
|
|
| 3 |
Ag |
1426 |
1426 |
0.00 |
|
|
|
| 4 |
Au |
1103 |
1103 |
0.00 |
|
|
|
| 5 |
B1u |
3240 |
3240 |
8.78 |
|
|
|
| 6 |
B1u |
1519 |
1519 |
6.93 |
|
|
|
| 7 |
B2g |
1015 |
1015 |
0.00 |
|
|
|
| 8 |
B2u |
3348 |
3348 |
17.23 |
|
|
|
| 9 |
B2u |
847 |
847 |
0.19 |
|
|
|
| 10 |
B3g |
3322 |
3322 |
0.00 |
|
|
|
| 11 |
B3g |
1278 |
1278 |
0.00 |
|
|
|
| 12 |
B3u |
1025 |
1025 |
77.98 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11568.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 11568.5 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.