Vibrational Frequencies calculated at MP2/6-31+G**
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' |
3979 |
3742 |
124.80 |
|
|
|
2 |
A' |
3862 |
3632 |
14.26 |
|
|
|
3 |
A' |
3788 |
3563 |
260.30 |
|
|
|
4 |
A' |
1658 |
1560 |
64.65 |
|
|
|
5 |
A' |
1637 |
1540 |
109.87 |
|
|
|
6 |
A' |
372 |
350 |
128.14 |
|
|
|
7 |
A' |
202 |
190 |
171.71 |
|
|
|
8 |
A' |
171 |
161 |
131.48 |
|
|
|
9 |
A" |
4001 |
3763 |
95.84 |
|
|
|
10 |
A" |
676 |
636 |
192.86 |
|
|
|
11 |
A" |
178 |
168 |
67.80 |
|
|
|
12 |
A" |
144 |
135 |
143.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10333.7 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 9719.9 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.