Vibrational Frequencies calculated at MP2/aug-cc-pV(T+d)Z
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' |
1208 |
1208 |
59.34 |
|
|
|
2 |
A' |
607 |
607 |
87.76 |
|
|
|
3 |
A' |
526 |
526 |
123.86 |
|
|
|
4 |
A' |
388 |
388 |
10.31 |
|
|
|
5 |
A" |
1366 |
1366 |
222.47 |
|
|
|
6 |
A" |
343 |
343 |
6.59 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2219.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 2219.1 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.