Vibrational Frequencies calculated at MP2/6-311G*
| 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 |
3745 |
3559 |
23.01 |
|
|
|
| 2 |
A |
3616 |
3436 |
19.93 |
|
|
|
| 3 |
A |
3566 |
3389 |
2.41 |
|
|
|
| 4 |
A |
3107 |
2953 |
56.98 |
|
|
|
| 5 |
A |
1759 |
1671 |
214.30 |
|
|
|
| 6 |
A |
1683 |
1600 |
30.71 |
|
|
|
| 7 |
A |
1440 |
1368 |
26.49 |
|
|
|
| 8 |
A |
1372 |
1303 |
21.28 |
|
|
|
| 9 |
A |
1153 |
1095 |
75.66 |
|
|
|
| 10 |
A |
1120 |
1065 |
42.75 |
|
|
|
| 11 |
A |
1064 |
1011 |
2.91 |
|
|
|
| 12 |
A |
839 |
797 |
24.05 |
|
|
|
| 13 |
A |
674 |
640 |
377.69 |
|
|
|
| 14 |
A |
564 |
536 |
6.02 |
|
|
|
| 15 |
A |
442 |
420 |
94.92 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 13072.0 cm
-1
Scaled (by 0.9503) Zero Point Vibrational Energy (zpe) 12422.4 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.