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 |
|
A' |
3266 |
3101 |
1.00 |
|
|
|
|
A' |
655 |
622 |
8.28 |
|
|
|
|
A' |
458 |
435 |
22.08 |
|
|
|
|
A' |
192 |
182 |
0.07 |
|
|
|
|
A" |
1211 |
1150 |
61.80 |
|
|
|
|
A" |
820 |
779 |
117.12 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3301.2 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 3134.5 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.