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' |
3291 |
3057 |
9.15 |
|
|
|
| 2 |
A' |
1436 |
1334 |
29.46 |
|
|
|
| 3 |
A' |
1195 |
1110 |
210.31 |
|
|
|
| 4 |
A' |
789 |
733 |
42.15 |
|
|
|
| 5 |
A' |
487 |
452 |
1.90 |
|
|
|
| 6 |
A' |
300 |
279 |
0.13 |
|
|
|
| 7 |
A" |
1375 |
1277 |
78.57 |
|
|
|
| 8 |
A" |
886 |
823 |
251.33 |
|
|
|
| 9 |
A" |
396 |
368 |
0.79 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5076.4 cm
-1
Scaled (by 0.9291) Zero Point Vibrational Energy (zpe) 4716.5 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.