Vibrational Frequencies calculated at MP3=FULL/daug-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 |
A1 |
3133 |
3133 |
22.88 |
|
|
|
| 2 |
A1 |
1510 |
1510 |
2.37 |
|
|
|
| 3 |
A1 |
1115 |
1115 |
3.71 |
|
|
|
| 4 |
B1 |
1025 |
1025 |
44.90 |
|
|
|
| 5 |
B2 |
3229 |
3229 |
3.93 |
|
|
|
| 6 |
B2 |
1015 |
1015 |
1.55 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5513.2 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5513.2 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.