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 |
3802 |
3571 |
49.63 |
|
|
|
| 2 |
A |
3391 |
3185 |
2.20 |
|
|
|
| 3 |
A |
3236 |
3040 |
9.29 |
|
|
|
| 4 |
A |
1484 |
1394 |
5.55 |
|
|
|
| 5 |
A |
1368 |
1285 |
54.47 |
|
|
|
| 6 |
A |
1212 |
1139 |
26.82 |
|
|
|
| 7 |
A |
1184 |
1112 |
24.12 |
|
|
|
| 8 |
A |
923 |
867 |
18.62 |
|
|
|
| 9 |
A |
792 |
744 |
34.09 |
|
|
|
| 10 |
A |
483 |
453 |
1.94 |
|
|
|
| 11 |
A |
270 |
254 |
28.57 |
|
|
|
| 12 |
A |
192 |
181 |
143.54 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9168.9 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 8611.5 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.