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 |
A' |
2010 |
1910 |
218.10 |
|
|
|
2 |
A' |
1351 |
1283 |
190.15 |
|
|
|
3 |
A' |
945 |
898 |
8.64 |
|
|
|
4 |
A' |
801 |
761 |
169.25 |
|
|
|
5 |
A' |
623 |
592 |
21.26 |
|
|
|
6 |
A' |
411 |
390 |
72.67 |
|
|
|
7 |
A' |
295 |
280 |
1.86 |
|
|
|
8 |
A" |
707 |
672 |
9.37 |
|
|
|
9 |
A" |
150 |
142 |
0.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3645.7 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3464.2 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.