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' |
3232 |
3119 |
|
|
|
|
| 2 |
A' |
3101 |
2993 |
|
|
|
|
| 3 |
A' |
2137 |
2063 |
|
|
|
|
| 4 |
A' |
1648 |
1590 |
|
|
|
|
| 5 |
A' |
1478 |
1426 |
|
|
|
|
| 6 |
A' |
1216 |
1174 |
|
|
|
|
| 7 |
A' |
919 |
887 |
|
|
|
|
| 8 |
A' |
601 |
580 |
|
|
|
|
| 9 |
A' |
241 |
232 |
|
|
|
|
| 10 |
A" |
1061 |
1024 |
|
|
|
|
| 11 |
A" |
766 |
739 |
|
|
|
|
| 12 |
A" |
347 |
335 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8373.2 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 8081.0 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.