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' |
3883 |
3689 |
164.20 |
|
|
|
| 2 |
A' |
3205 |
3045 |
9.96 |
|
|
|
| 3 |
A' |
1812 |
1722 |
328.00 |
|
|
|
| 4 |
A' |
1365 |
1297 |
3.68 |
|
|
|
| 5 |
A' |
1057 |
1004 |
152.83 |
|
|
|
| 6 |
A' |
942 |
895 |
14.14 |
|
|
|
| 7 |
A' |
614 |
584 |
88.08 |
|
|
|
| 8 |
A' |
365 |
347 |
17.48 |
|
|
|
| 9 |
A" |
3296 |
3132 |
0.31 |
|
|
|
| 10 |
A" |
782 |
743 |
47.55 |
|
|
|
| 11 |
A" |
624 |
593 |
84.97 |
|
|
|
| 12 |
A" |
317 |
301 |
0.73 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9130.2 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 8675.5 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.