Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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' |
3398 |
3191 |
1.12 |
|
|
|
| 2 |
A' |
3262 |
3063 |
2.36 |
|
|
|
| 3 |
A' |
3017 |
2833 |
110.11 |
|
|
|
| 4 |
A' |
1944 |
1826 |
433.72 |
|
|
|
| 5 |
A' |
1514 |
1422 |
13.99 |
|
|
|
| 6 |
A' |
1462 |
1373 |
7.21 |
|
|
|
| 7 |
A' |
1164 |
1093 |
61.25 |
|
|
|
| 8 |
A' |
967 |
909 |
10.69 |
|
|
|
| 9 |
A' |
513 |
481 |
15.44 |
|
|
|
| 10 |
A" |
1073 |
1008 |
3.94 |
|
|
|
| 11 |
A" |
673 |
632 |
52.17 |
|
|
|
| 12 |
A" |
347 |
326 |
1.03 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9666.0 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 9078.3 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.