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 |
3901 |
3663 |
67.25 |
|
|
|
| 2 |
A |
3395 |
3189 |
11.35 |
|
|
|
| 3 |
A |
3236 |
3040 |
25.94 |
|
|
|
| 4 |
A |
1541 |
1447 |
12.40 |
|
|
|
| 5 |
A |
1373 |
1290 |
22.63 |
|
|
|
| 6 |
A |
1215 |
1141 |
120.05 |
|
|
|
| 7 |
A |
1076 |
1011 |
59.41 |
|
|
|
| 8 |
A |
741 |
695 |
56.44 |
|
|
|
| 9 |
A |
456 |
428 |
113.14 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8466.7 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 7951.9 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.