Vibrational Frequencies calculated at MP4=FULL/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 |
A1 |
3138 |
3029 |
|
|
|
|
| 2 |
A1 |
1434 |
1384 |
|
|
|
|
| 3 |
A1 |
584 |
563 |
|
|
|
|
| 4 |
A1 |
173 |
167 |
|
|
|
|
| 5 |
A2 |
1118 |
1079 |
|
|
|
|
| 6 |
B1 |
3229 |
3117 |
|
|
|
|
| 7 |
B1 |
812 |
784 |
|
|
|
|
| 8 |
B2 |
1220 |
1177 |
|
|
|
|
| 9 |
B2 |
666 |
643 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6186.7 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 5970.8 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.