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' |
3733 |
3610 |
0.00 |
|
|
|
| 2 |
A' |
3579 |
3461 |
0.00 |
|
|
|
| 3 |
A' |
3101 |
2998 |
0.00 |
|
|
|
| 4 |
A' |
1626 |
1572 |
0.00 |
|
|
|
| 5 |
A' |
1469 |
1420 |
0.00 |
|
|
|
| 6 |
A' |
1313 |
1270 |
0.00 |
|
|
|
| 7 |
A' |
1132 |
1095 |
0.00 |
|
|
|
| 8 |
A' |
889 |
859 |
0.00 |
|
|
|
| 9 |
A' |
430 |
416 |
0.00 |
|
|
|
| 10 |
A" |
952 |
921 |
0.00 |
|
|
|
| 11 |
A" |
619 |
599 |
0.00 |
|
|
|
| 12 |
A" |
90 |
87 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9466.6 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 9153.2 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.