Vibrational Frequencies calculated at MP4/6-311G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
3201 |
3104 |
|
|
|
|
| 2 |
A1 |
2163 |
2098 |
|
|
|
|
| 3 |
A1 |
1406 |
1363 |
|
|
|
|
| 4 |
A1 |
1126 |
1091 |
|
|
|
|
| 5 |
B1 |
570 |
553 |
|
|
|
|
| 6 |
B1 |
478 |
463 |
|
|
|
|
| 7 |
B2 |
3309 |
3208 |
|
|
|
|
| 8 |
B2 |
984 |
954 |
|
|
|
|
| 9 |
B2 |
433 |
420 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6834.4 cm
-1
Scaled (by 0.9697) Zero Point Vibrational Energy (zpe) 6627.3 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.