Vibrational Frequencies calculated at MP2/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' |
3808 |
3615 |
172.59 |
|
|
|
| 2 |
A' |
2261 |
2147 |
78.83 |
|
|
|
| 3 |
A' |
1252 |
1189 |
93.05 |
|
|
|
| 4 |
A' |
1078 |
1024 |
65.42 |
|
|
|
| 5 |
A' |
436 |
414 |
13.90 |
|
|
|
| 6 |
A" |
483 |
458 |
2.37 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4658.7 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 4423.4 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.