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' |
3173 |
3068 |
|
|
|
|
| 2 |
A' |
3046 |
2945 |
|
|
|
|
| 3 |
A' |
1526 |
1476 |
|
|
|
|
| 4 |
A' |
1445 |
1397 |
|
|
|
|
| 5 |
A' |
1359 |
1314 |
|
|
|
|
| 6 |
A' |
1137 |
1099 |
|
|
|
|
| 7 |
A' |
853 |
825 |
|
|
|
|
| 8 |
A' |
570 |
551 |
|
|
|
|
| 9 |
A" |
3155 |
3051 |
|
|
|
|
| 10 |
A" |
1454 |
1406 |
|
|
|
|
| 11 |
A" |
957 |
926 |
|
|
|
|
| 12 |
A" |
134 |
130 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9405.2 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 9093.8 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.