Vibrational Frequencies calculated at MP2=FULL/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 |
3807 |
3557 |
32.56 |
|
|
|
| 2 |
A |
1091 |
1020 |
105.01 |
|
|
|
| 3 |
A |
1040 |
972 |
46.18 |
|
|
|
| 4 |
A |
711 |
664 |
81.37 |
|
|
|
| 5 |
A |
371 |
346 |
84.12 |
|
|
|
| 6 |
A |
334 |
312 |
8.94 |
|
|
|
| 7 |
A |
265 |
247 |
1.48 |
|
|
|
| 8 |
A |
172 |
161 |
83.51 |
|
|
|
| 9 |
B |
3803 |
3554 |
213.05 |
|
|
|
| 10 |
B |
1164 |
1088 |
147.03 |
|
|
|
| 11 |
B |
1085 |
1014 |
86.79 |
|
|
|
| 12 |
B |
727 |
679 |
159.08 |
|
|
|
| 13 |
B |
369 |
345 |
92.90 |
|
|
|
| 14 |
B |
339 |
317 |
39.15 |
|
|
|
| 15 |
B |
289 |
270 |
36.52 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7782.9 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 7272.4 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.