Vibrational Frequencies calculated at MP2/cc-pVTZ-PP
| 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' |
3139 |
3139 |
10.39 |
|
|
|
| 2 |
A' |
1510 |
1510 |
0.12 |
|
|
|
| 3 |
A' |
1323 |
1323 |
62.07 |
|
|
|
| 4 |
A' |
1105 |
1105 |
189.49 |
|
|
|
| 5 |
A' |
606 |
606 |
37.01 |
|
|
|
| 6 |
A' |
278 |
278 |
0.57 |
|
|
|
| 7 |
A" |
3229 |
3229 |
1.70 |
|
|
|
| 8 |
A" |
1263 |
1263 |
2.51 |
|
|
|
| 9 |
A" |
887 |
887 |
0.50 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6669.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6669.4 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.