Vibrational Frequencies calculated at MP4/aug-cc-pVTZ
| 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 |
3809 |
3707 |
|
|
|
|
| 2 |
A |
3150 |
3065 |
|
|
|
|
| 3 |
A |
3059 |
2977 |
|
|
|
|
| 4 |
A |
1541 |
1500 |
|
|
|
|
| 5 |
A |
1443 |
1404 |
|
|
|
|
| 6 |
A |
1399 |
1361 |
|
|
|
|
| 7 |
A |
1265 |
1231 |
|
|
|
|
| 8 |
A |
1134 |
1104 |
|
|
|
|
| 9 |
A |
1067 |
1039 |
|
|
|
|
| 10 |
A |
1000 |
973 |
|
|
|
|
| 11 |
A |
533 |
519 |
|
|
|
|
| 12 |
A |
382 |
371 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9890.7 cm
-1
Scaled (by 0.9732) Zero Point Vibrational Energy (zpe) 9625.6 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.