Vibrational Frequencies calculated at MP4=FULL/3-21G
| 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' |
3610 |
3534 |
0.00 |
|
|
|
| 2 |
A' |
3478 |
3404 |
0.00 |
|
|
|
| 3 |
A' |
3115 |
3049 |
0.00 |
|
|
|
| 4 |
A' |
1711 |
1674 |
0.00 |
|
|
|
| 5 |
A' |
1474 |
1443 |
0.00 |
|
|
|
| 6 |
A' |
1319 |
1291 |
0.00 |
|
|
|
| 7 |
A' |
1168 |
1144 |
0.00 |
|
|
|
| 8 |
A' |
814 |
796 |
0.00 |
|
|
|
| 9 |
A' |
427 |
418 |
0.00 |
|
|
|
| 10 |
A" |
988 |
967 |
0.00 |
|
|
|
| 11 |
A" |
685 |
670 |
0.00 |
|
|
|
| 12 |
A" |
535 |
524 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9661.6 cm
-1
Scaled (by 0.9788) Zero Point Vibrational Energy (zpe) 9456.8 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.