Vibrational Frequencies calculated at MP2/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 |
A' |
3786 |
3606 |
85.17 |
|
|
|
| 2 |
A' |
1679 |
1599 |
80.07 |
|
|
|
| 3 |
A' |
1299 |
1237 |
180.68 |
|
|
|
| 4 |
A' |
853 |
812 |
170.53 |
|
|
|
| 5 |
A' |
625 |
595 |
119.04 |
|
|
|
| 6 |
A" |
591 |
563 |
99.48 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4416.3 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 4206.6 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.