Vibrational Frequencies calculated at MP4=FULL/3-21G
| 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 |
730 |
715 |
|
|
|
|
| 2 |
A1 |
606 |
593 |
|
|
|
|
| 3 |
A1 |
367 |
359 |
|
|
|
|
| 4 |
A1 |
126 |
123 |
|
|
|
|
| 5 |
A2 |
361 |
353 |
|
|
|
|
| 6 |
B1 |
756 |
740 |
|
|
|
|
| 7 |
B1 |
255 |
250 |
|
|
|
|
| 8 |
B2 |
696 |
681 |
|
|
|
|
| 9 |
B2 |
390 |
382 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2142.7 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 2097.3 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.