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' |
3439 |
3333 |
|
|
|
|
2 |
A' |
3152 |
3055 |
|
|
|
|
3 |
A' |
3049 |
2955 |
|
|
|
|
4 |
A' |
1660 |
1609 |
|
|
|
|
5 |
A' |
1477 |
1432 |
|
|
|
|
6 |
A' |
1379 |
1337 |
|
|
|
|
7 |
A' |
1069 |
1036 |
|
|
|
|
8 |
A" |
1165 |
1129 |
|
|
|
|
9 |
A" |
1081 |
1047 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8735.1 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 8466.0 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.