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' |
3414 |
3301 |
|
|
|
|
2 |
A' |
3163 |
3058 |
|
|
|
|
3 |
A' |
3053 |
2952 |
|
|
|
|
4 |
A' |
1667 |
1612 |
|
|
|
|
5 |
A' |
1472 |
1423 |
|
|
|
|
6 |
A' |
1380 |
1334 |
|
|
|
|
7 |
A' |
1067 |
1031 |
|
|
|
|
8 |
A" |
1162 |
1124 |
|
|
|
|
9 |
A" |
1059 |
1024 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8717.9 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 8429.3 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.