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 |
A |
3852 |
3718 |
|
|
|
|
| 2 |
A |
3286 |
3171 |
|
|
|
|
| 3 |
A |
3138 |
3029 |
|
|
|
|
| 4 |
A |
1496 |
1444 |
|
|
|
|
| 5 |
A |
1389 |
1340 |
|
|
|
|
| 6 |
A |
1219 |
1177 |
|
|
|
|
| 7 |
A |
1067 |
1030 |
|
|
|
|
| 8 |
A |
720 |
695 |
|
|
|
|
| 9 |
A |
463 |
446 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8315.4 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 8025.2 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.