Vibrational Frequencies calculated at MP2/6-311G**
| 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' |
1978 |
1880 |
191.02 |
|
|
|
| 2 |
A' |
1332 |
1266 |
237.55 |
|
|
|
| 3 |
A' |
796 |
756 |
177.34 |
|
|
|
| 4 |
A' |
776 |
737 |
31.41 |
|
|
|
| 5 |
A' |
530 |
504 |
90.72 |
|
|
|
| 6 |
A' |
399 |
379 |
102.98 |
|
|
|
| 7 |
A' |
250 |
238 |
1.34 |
|
|
|
| 8 |
A" |
714 |
679 |
9.63 |
|
|
|
| 9 |
A" |
125 |
119 |
0.93 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3450.3 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3278.4 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.