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' |
3607 |
3482 |
|
|
|
|
| 2 |
A' |
3452 |
3331 |
|
|
|
|
| 3 |
A' |
2909 |
2808 |
|
|
|
|
| 4 |
A' |
1676 |
1617 |
|
|
|
|
| 5 |
A' |
1430 |
1380 |
|
|
|
|
| 6 |
A' |
1395 |
1346 |
|
|
|
|
| 7 |
A' |
1057 |
1020 |
|
|
|
|
| 8 |
A" |
1165 |
1124 |
|
|
|
|
| 9 |
A" |
765 |
739 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8727.9 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 8423.3 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.