Vibrational Frequencies calculated at MP4/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' |
3427 |
3313 |
|
|
|
|
2 |
A' |
1597 |
1544 |
|
|
|
|
3 |
A' |
1121 |
1084 |
|
|
|
|
4 |
A' |
666 |
644 |
|
|
|
|
5 |
A" |
3528 |
3411 |
|
|
|
|
6 |
A" |
1184 |
1145 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5761.3 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 5570.6 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.