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 |
A1 |
3097 |
2920 |
0.00 |
|
|
|
| 2 |
A1 |
2078 |
1959 |
13.28 |
|
|
|
| 3 |
A1 |
1459 |
1376 |
17.04 |
|
|
|
| 4 |
B1 |
1173 |
1106 |
32.23 |
|
|
|
| 5 |
B2 |
3165 |
2985 |
11.27 |
|
|
|
| 6 |
B2 |
985 |
929 |
7.11 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5977.9 cm
-1
Scaled (by 0.943) Zero Point Vibrational Energy (zpe) 5637.2 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.