Vibrational Frequencies calculated at MP2/6-31+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 |
A1 |
3844 |
3615 |
13.72 |
|
|
|
| 2 |
A1 |
1840 |
1731 |
551.06 |
|
|
|
| 3 |
A1 |
1295 |
1218 |
30.48 |
|
|
|
| 4 |
A1 |
986 |
927 |
22.49 |
|
|
|
| 5 |
A1 |
545 |
513 |
5.35 |
|
|
|
| 6 |
A2 |
522 |
491 |
0.00 |
|
|
|
| 7 |
B1 |
781 |
734 |
54.11 |
|
|
|
| 8 |
B1 |
608 |
572 |
248.61 |
|
|
|
| 9 |
B2 |
3842 |
3614 |
207.18 |
|
|
|
| 10 |
B2 |
1473 |
1386 |
169.08 |
|
|
|
| 11 |
B2 |
1173 |
1103 |
443.98 |
|
|
|
| 12 |
B2 |
595 |
560 |
50.19 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8752.0 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 8232.1 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.