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 |
3767 |
3538 |
50.88 |
|
|
|
| 2 |
A |
1084 |
1018 |
80.94 |
|
|
|
| 3 |
A |
1017 |
955 |
60.99 |
|
|
|
| 4 |
A |
677 |
636 |
95.61 |
|
|
|
| 5 |
A |
359 |
337 |
75.36 |
|
|
|
| 6 |
A |
332 |
311 |
11.08 |
|
|
|
| 7 |
A |
262 |
246 |
0.00 |
|
|
|
| 8 |
A |
167 |
156 |
92.44 |
|
|
|
| 9 |
B |
3763 |
3535 |
223.15 |
|
|
|
| 10 |
B |
1137 |
1068 |
166.26 |
|
|
|
| 11 |
B |
1074 |
1008 |
91.50 |
|
|
|
| 12 |
B |
684 |
642 |
172.09 |
|
|
|
| 13 |
B |
362 |
340 |
64.61 |
|
|
|
| 14 |
B |
330 |
310 |
51.03 |
|
|
|
| 15 |
B |
281 |
264 |
48.73 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7646.3 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 7181.4 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.