Vibrational Frequencies calculated at MP3=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 |
A1 |
2014 |
2014 |
463.00 |
|
|
|
| 2 |
A1 |
1144 |
1144 |
131.39 |
|
|
|
| 3 |
A1 |
921 |
921 |
195.26 |
|
|
|
| 4 |
A1 |
769 |
769 |
74.88 |
|
|
|
| 5 |
B1 |
825 |
825 |
45.25 |
|
|
|
| 6 |
B1 |
303 |
303 |
82.99 |
|
|
|
| 7 |
B2 |
1268 |
1268 |
472.00 |
|
|
|
| 8 |
B2 |
807 |
807 |
47.58 |
|
|
|
| 9 |
B2 |
601 |
601 |
0.76 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4326.7 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 4326.7 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.