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' |
3727 |
3612 |
0.00 |
|
|
|
| 2 |
A' |
3580 |
3470 |
0.00 |
|
|
|
| 3 |
A' |
3100 |
3004 |
0.00 |
|
|
|
| 4 |
A' |
1633 |
1582 |
0.00 |
|
|
|
| 5 |
A' |
1461 |
1416 |
0.00 |
|
|
|
| 6 |
A' |
1308 |
1268 |
0.00 |
|
|
|
| 7 |
A' |
1133 |
1099 |
0.00 |
|
|
|
| 8 |
A' |
885 |
858 |
0.00 |
|
|
|
| 9 |
A' |
428 |
414 |
0.00 |
|
|
|
| 10 |
A" |
958 |
929 |
0.00 |
|
|
|
| 11 |
A" |
621 |
602 |
0.00 |
|
|
|
| 12 |
A" |
253 |
245 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9543.4 cm
-1
Scaled (by 0.9692) Zero Point Vibrational Energy (zpe) 9249.5 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.