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' |
3212 |
3052 |
4.78 |
|
|
|
| 2 |
A' |
3106 |
2951 |
16.99 |
|
|
|
| 3 |
A' |
2511 |
2386 |
19.68 |
|
|
|
| 4 |
A' |
1504 |
1429 |
7.00 |
|
|
|
| 5 |
A' |
1347 |
1279 |
11.55 |
|
|
|
| 6 |
A' |
1024 |
973 |
18.73 |
|
|
|
| 7 |
A' |
734 |
698 |
0.68 |
|
|
|
| 8 |
A' |
609 |
579 |
0.01 |
|
|
|
| 9 |
A" |
3219 |
3059 |
4.37 |
|
|
|
| 10 |
A" |
1491 |
1417 |
4.43 |
|
|
|
| 11 |
A" |
938 |
891 |
8.45 |
|
|
|
| 12 |
A" |
211 |
201 |
6.44 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9952.7 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 9457.1 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.