Vibrational Frequencies calculated at MP4/6-31G*
| 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' |
3156 |
3013 |
|
|
|
|
| 2 |
A' |
1183 |
1129 |
|
|
|
|
| 3 |
A' |
1071 |
1023 |
|
|
|
|
| 4 |
A' |
531 |
507 |
|
|
|
|
| 5 |
A" |
1383 |
1320 |
|
|
|
|
| 6 |
A" |
1212 |
1157 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4268.0 cm
-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 4075.1 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.