Vibrational Frequencies calculated at MP2=FULL/6-311G**
| 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 |
3814 |
3618 |
46.13 |
|
|
|
| 2 |
A |
1103 |
1046 |
74.26 |
|
|
|
| 3 |
A |
999 |
947 |
56.83 |
|
|
|
| 4 |
A |
661 |
627 |
88.00 |
|
|
|
| 5 |
A |
365 |
346 |
90.74 |
|
|
|
| 6 |
A |
334 |
317 |
4.66 |
|
|
|
| 7 |
A |
265 |
251 |
0.07 |
|
|
|
| 8 |
A |
184 |
174 |
80.20 |
|
|
|
| 9 |
B |
3810 |
3614 |
205.41 |
|
|
|
| 10 |
B |
1148 |
1089 |
110.38 |
|
|
|
| 11 |
B |
1070 |
1015 |
99.54 |
|
|
|
| 12 |
B |
671 |
636 |
159.71 |
|
|
|
| 13 |
B |
366 |
347 |
77.48 |
|
|
|
| 14 |
B |
342 |
324 |
42.69 |
|
|
|
| 15 |
B |
269 |
255 |
40.07 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7700.4 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 7304.6 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.