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 |
3444 |
3273 |
3.00 |
|
|
|
| 2 |
A1 |
1642 |
1560 |
47.15 |
|
|
|
| 3 |
A1 |
1459 |
1386 |
11.94 |
|
|
|
| 4 |
B1 |
736 |
699 |
187.28 |
|
|
|
| 5 |
B2 |
3534 |
3358 |
15.00 |
|
|
|
| 6 |
B2 |
1027 |
976 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5920.2 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 5625.4 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.