Vibrational Frequencies calculated at CID/6-311G*
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
3391 |
3151 |
0.07 |
|
|
|
| 2 |
A' |
3284 |
3051 |
3.55 |
|
|
|
| 3 |
A' |
1818 |
1689 |
160.53 |
|
|
|
| 4 |
A' |
1480 |
1375 |
5.02 |
|
|
|
| 5 |
A' |
1287 |
1195 |
212.03 |
|
|
|
| 6 |
A' |
1020 |
948 |
39.18 |
|
|
|
| 7 |
A' |
740 |
688 |
47.26 |
|
|
|
| 8 |
A' |
454 |
422 |
2.18 |
|
|
|
| 9 |
A' |
391 |
363 |
0.04 |
|
|
|
| 10 |
A" |
920 |
855 |
75.98 |
|
|
|
| 11 |
A" |
768 |
713 |
0.35 |
|
|
|
| 12 |
A" |
559 |
520 |
0.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8056.1 cm
-1
Scaled (by 0.9291) Zero Point Vibrational Energy (zpe) 7484.9 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.