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 |
Ag |
353 |
341 |
|
|
|
|
| 2 |
Ag |
682 |
658 |
|
|
|
|
| 3 |
B1u |
692 |
668 |
|
|
|
|
| 4 |
B2u |
573 |
553 |
|
|
|
|
| 5 |
B3g |
583 |
563 |
|
|
|
|
| 6 |
B3u |
299 |
288 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1591.2 cm
-1
Scaled (by 0.9651) Zero Point Vibrational Energy (zpe) 1535.7 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.