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' |
3870 |
3677 |
38.63 |
|
|
|
| 2 |
A' |
3309 |
3144 |
6.91 |
|
|
|
| 3 |
A' |
3243 |
3082 |
6.81 |
|
|
|
| 4 |
A' |
3195 |
3036 |
5.06 |
|
|
|
| 5 |
A' |
1709 |
1624 |
144.07 |
|
|
|
| 6 |
A' |
1458 |
1386 |
15.20 |
|
|
|
| 7 |
A' |
1381 |
1312 |
3.80 |
|
|
|
| 8 |
A' |
1333 |
1267 |
6.90 |
|
|
|
| 9 |
A' |
1140 |
1083 |
179.56 |
|
|
|
| 10 |
A' |
965 |
917 |
8.53 |
|
|
|
| 11 |
A' |
489 |
464 |
13.79 |
|
|
|
| 12 |
A" |
998 |
948 |
43.22 |
|
|
|
| 13 |
A" |
776 |
737 |
59.11 |
|
|
|
| 14 |
A" |
714 |
678 |
0.34 |
|
|
|
| 15 |
A" |
454 |
431 |
106.24 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 12515.6 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 11892.3 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.