Vibrational Frequencies calculated at MP2/6-31G
| 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' |
3290 |
3148 |
8.00 |
|
|
|
| 2 |
A' |
3270 |
3129 |
2.33 |
|
|
|
| 3 |
A' |
3188 |
3050 |
1.33 |
|
|
|
| 4 |
A' |
1661 |
1589 |
31.46 |
|
|
|
| 5 |
A' |
1473 |
1410 |
12.46 |
|
|
|
| 6 |
A' |
1325 |
1267 |
32.81 |
|
|
|
| 7 |
A' |
1064 |
1018 |
7.57 |
|
|
|
| 8 |
A' |
574 |
549 |
17.12 |
|
|
|
| 9 |
A' |
341 |
326 |
0.25 |
|
|
|
| 10 |
A" |
1013 |
969 |
68.55 |
|
|
|
| 11 |
A" |
970 |
928 |
20.00 |
|
|
|
| 12 |
A" |
613 |
586 |
15.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9390.2 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 8984.5 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.