Vibrational Frequencies calculated at MP3=FULL/daug-cc-pVDZ
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 |
2346 |
2346 |
50.46 |
|
|
|
2 |
A1 |
983 |
983 |
127.14 |
|
|
|
3 |
A1 |
852 |
852 |
79.57 |
|
|
|
4 |
A1 |
300 |
300 |
19.65 |
|
|
|
5 |
A2 |
735 |
735 |
0.00 |
|
|
|
6 |
B1 |
2364 |
2364 |
119.18 |
|
|
|
7 |
B1 |
713 |
713 |
131.59 |
|
|
|
8 |
B2 |
964 |
964 |
303.41 |
|
|
|
9 |
B2 |
897 |
897 |
6.56 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5076.0 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5076.0 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.