Vibrational Frequencies calculated at MP4/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 |
A1 |
3609 |
3498 |
|
|
|
|
| 2 |
A1 |
2592 |
2512 |
|
|
|
|
| 3 |
A1 |
1645 |
1595 |
|
|
|
|
| 4 |
A1 |
1368 |
1326 |
|
|
|
|
| 5 |
A1 |
1164 |
1128 |
|
|
|
|
| 6 |
A2 |
867 |
840 |
|
|
|
|
| 7 |
B1 |
1017 |
985 |
|
|
|
|
| 8 |
B1 |
607 |
588 |
|
|
|
|
| 9 |
B2 |
3713 |
3599 |
|
|
|
|
| 10 |
B2 |
2673 |
2591 |
|
|
|
|
| 11 |
B2 |
1141 |
1106 |
|
|
|
|
| 12 |
B2 |
737 |
715 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10565.9 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 10240.5 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.