Vibrational Frequencies calculated at MP2/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 |
1803 |
1717 |
152.26 |
|
|
|
| 2 |
A1 |
1052 |
1002 |
179.65 |
|
|
|
| 3 |
A1 |
636 |
606 |
3.33 |
|
|
|
| 4 |
A1 |
442 |
421 |
0.77 |
|
|
|
| 5 |
A1 |
261 |
249 |
0.10 |
|
|
|
| 6 |
A2 |
158 |
151 |
0.00 |
|
|
|
| 7 |
B1 |
601 |
572 |
9.61 |
|
|
|
| 8 |
B1 |
326 |
310 |
0.10 |
|
|
|
| 9 |
B2 |
1376 |
1311 |
149.09 |
|
|
|
| 10 |
B2 |
1021 |
972 |
119.66 |
|
|
|
| 11 |
B2 |
465 |
443 |
0.44 |
|
|
|
| 12 |
B2 |
186 |
177 |
2.44 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4162.9 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 3965.1 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.