Vibrational Frequencies calculated at MP4=FULL/3-21G
| 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 |
3497 |
3423 |
|
|
|
|
| 2 |
A |
3254 |
3185 |
|
|
|
|
| 3 |
A |
3102 |
3036 |
|
|
|
|
| 4 |
A |
1535 |
1503 |
|
|
|
|
| 5 |
A |
1392 |
1363 |
|
|
|
|
| 6 |
A |
1118 |
1095 |
|
|
|
|
| 7 |
A |
1057 |
1035 |
|
|
|
|
| 8 |
A |
724 |
708 |
|
|
|
|
| 9 |
A |
447 |
437 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8063.0 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 7892.1 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.