Vibrational Frequencies calculated at MP2/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 |
1246 |
1187 |
158.34 |
|
|
|
| 2 |
A1 |
797 |
760 |
133.73 |
|
|
|
| 3 |
A1 |
505 |
481 |
28.77 |
|
|
|
| 4 |
A1 |
348 |
332 |
0.01 |
|
|
|
| 5 |
A2 |
347 |
330 |
0.00 |
|
|
|
| 6 |
B1 |
836 |
796 |
244.14 |
|
|
|
| 7 |
B1 |
496 |
473 |
22.46 |
|
|
|
| 8 |
B2 |
1490 |
1419 |
252.10 |
|
|
|
| 9 |
B2 |
496 |
472 |
39.16 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3280.6 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 3124.8 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.