Vibrational Frequencies calculated at MP4=FULL/cc-pVTZ
| 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' |
3735 |
3596 |
0.00 |
|
|
|
| 2 |
A' |
3597 |
3464 |
0.00 |
|
|
|
| 3 |
A' |
3118 |
3002 |
0.00 |
|
|
|
| 4 |
A' |
1651 |
1589 |
0.00 |
|
|
|
| 5 |
A' |
1472 |
1417 |
0.00 |
|
|
|
| 6 |
A' |
1317 |
1269 |
0.00 |
|
|
|
| 7 |
A' |
1138 |
1095 |
0.00 |
|
|
|
| 8 |
A' |
889 |
856 |
0.00 |
|
|
|
| 9 |
A' |
430 |
414 |
0.00 |
|
|
|
| 10 |
A" |
974 |
938 |
0.00 |
|
|
|
| 11 |
A" |
630 |
606 |
0.00 |
|
|
|
| 12 |
A" |
291 |
281 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9620.5 cm
-1
Scaled (by 0.9629) Zero Point Vibrational Energy (zpe) 9263.6 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.