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' |
3346 |
3174 |
1.97 |
|
|
|
| 2 |
A' |
3212 |
3047 |
1.58 |
|
|
|
| 3 |
A' |
2947 |
2795 |
138.06 |
|
|
|
| 4 |
A' |
1982 |
1880 |
465.09 |
|
|
|
| 5 |
A' |
1487 |
1410 |
16.81 |
|
|
|
| 6 |
A' |
1446 |
1371 |
7.72 |
|
|
|
| 7 |
A' |
1138 |
1080 |
61.30 |
|
|
|
| 8 |
A' |
944 |
895 |
11.05 |
|
|
|
| 9 |
A' |
507 |
481 |
14.91 |
|
|
|
| 10 |
A" |
1075 |
1019 |
4.90 |
|
|
|
| 11 |
A" |
662 |
628 |
40.09 |
|
|
|
| 12 |
A" |
359 |
340 |
0.67 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9550.9 cm
-1
Scaled (by 0.9486) Zero Point Vibrational Energy (zpe) 9060.0 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.