Vibrational Frequencies calculated at MP4/cc-pVDZ
| 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' |
3845 |
3717 |
|
|
|
|
| 2 |
A' |
3145 |
3041 |
|
|
|
|
| 3 |
A' |
3004 |
2905 |
|
|
|
|
| 4 |
A' |
1509 |
1459 |
|
|
|
|
| 5 |
A' |
1485 |
1436 |
|
|
|
|
| 6 |
A' |
1403 |
1357 |
|
|
|
|
| 7 |
A' |
1101 |
1064 |
|
|
|
|
| 8 |
A' |
1073 |
1038 |
|
|
|
|
| 9 |
A" |
3063 |
2961 |
|
|
|
|
| 10 |
A" |
1491 |
1442 |
|
|
|
|
| 11 |
A" |
1172 |
1133 |
|
|
|
|
| 12 |
A" |
350 |
338 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11320.1 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 10945.4 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.