Vibrational Frequencies calculated at MP4/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' |
3728 |
3613 |
0.00 |
|
|
|
| 2 |
A' |
1619 |
1570 |
0.00 |
|
|
|
| 3 |
A' |
899 |
871 |
0.00 |
|
|
|
| 4 |
A' |
702 |
680 |
0.00 |
|
|
|
| 5 |
A" |
3831 |
3713 |
0.00 |
|
|
|
| 6 |
A" |
853 |
827 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5815.8 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 5636.7 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.