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 |
A1 |
3167 |
3009 |
12.66 |
92.48 |
0.08 |
0.15 |
| 2 |
A1 |
1479 |
1405 |
0.42 |
11.82 |
0.74 |
0.85 |
| 3 |
A1 |
749 |
712 |
11.84 |
10.91 |
0.11 |
0.20 |
| 4 |
A1 |
302 |
287 |
0.30 |
7.03 |
0.58 |
0.74 |
| 5 |
A2 |
1230 |
1168 |
0.00 |
9.26 |
0.75 |
0.86 |
| 6 |
B1 |
3244 |
3082 |
0.85 |
54.07 |
0.75 |
0.86 |
| 7 |
B1 |
927 |
881 |
3.29 |
2.57 |
0.75 |
0.86 |
| 8 |
B2 |
1359 |
1291 |
56.51 |
3.36 |
0.75 |
0.86 |
| 9 |
B2 |
814 |
773 |
130.74 |
6.13 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 6634.7 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 6304.3 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.