Vibrational Frequencies calculated at MP2/6-31G
| 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' |
3296 |
3153 |
6.09 |
|
|
|
| 2 |
A' |
3277 |
3136 |
1.78 |
|
|
|
| 3 |
A' |
3191 |
3053 |
0.29 |
|
|
|
| 4 |
A' |
1662 |
1590 |
38.73 |
|
|
|
| 5 |
A' |
1467 |
1404 |
10.62 |
|
|
|
| 6 |
A' |
1336 |
1279 |
21.00 |
|
|
|
| 7 |
A' |
1074 |
1027 |
13.66 |
|
|
|
| 8 |
A' |
655 |
626 |
32.30 |
|
|
|
| 9 |
A' |
390 |
373 |
0.64 |
|
|
|
| 10 |
A" |
999 |
956 |
71.27 |
|
|
|
| 11 |
A" |
950 |
909 |
20.17 |
|
|
|
| 12 |
A" |
632 |
605 |
11.84 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9464.8 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 9055.9 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.