Vibrational Frequencies calculated at MP2/6-31G**
| 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' |
3522 |
3299 |
2.50 |
|
|
|
| 2 |
A' |
3260 |
3053 |
35.92 |
|
|
|
| 3 |
A' |
3144 |
2944 |
36.70 |
|
|
|
| 4 |
A' |
1713 |
1604 |
13.26 |
|
|
|
| 5 |
A' |
1526 |
1429 |
2.61 |
|
|
|
| 6 |
A' |
1397 |
1309 |
37.88 |
|
|
|
| 7 |
A' |
1091 |
1022 |
40.11 |
|
|
|
| 8 |
A" |
1193 |
1118 |
52.02 |
|
|
|
| 9 |
A" |
1107 |
1036 |
8.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8976.5 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 8406.5 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.