Vibrational Frequencies calculated at MP4=FULL/aug-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 |
2902 |
2813 |
|
|
|
|
| 2 |
A1 |
1468 |
1423 |
|
|
|
|
| 3 |
A1 |
1189 |
1152 |
|
|
|
|
| 4 |
A1 |
473 |
458 |
|
|
|
|
| 5 |
E |
2910 |
2820 |
|
|
|
|
| 5 |
E |
2909 |
2820 |
|
|
|
|
| 6 |
E |
1516 |
1469 |
|
|
|
|
| 6 |
E |
1515 |
1469 |
|
|
|
|
| 7 |
E |
1187 |
1150 |
|
|
|
|
| 7 |
E |
1186 |
1149 |
|
|
|
|
| 8 |
E |
146 |
142 |
|
|
|
|
| 8 |
E |
143 |
139 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8771.7 cm
-1
Scaled (by 0.9693) Zero Point Vibrational Energy (zpe) 8502.4 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.