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 |
A |
3262 |
3107 |
8.50 |
|
|
|
| 2 |
A |
3195 |
3043 |
7.04 |
|
|
|
| 3 |
A |
3150 |
3000 |
10.84 |
|
|
|
| 4 |
A |
3056 |
2911 |
15.29 |
|
|
|
| 5 |
A |
1481 |
1411 |
2.44 |
|
|
|
| 6 |
A |
1466 |
1396 |
8.62 |
|
|
|
| 7 |
A |
1408 |
1341 |
7.41 |
|
|
|
| 8 |
A |
1315 |
1253 |
40.08 |
|
|
|
| 9 |
A |
1141 |
1087 |
4.47 |
|
|
|
| 10 |
A |
1049 |
999 |
19.50 |
|
|
|
| 11 |
A |
1007 |
960 |
0.50 |
|
|
|
| 12 |
A |
760 |
724 |
25.66 |
|
|
|
| 13 |
A |
479 |
456 |
27.95 |
|
|
|
| 14 |
A |
339 |
323 |
2.35 |
|
|
|
| 15 |
A |
183 |
174 |
0.28 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11645.3 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 11092.2 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.