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 |
1599 |
1523 |
0.00 |
|
|
|
| 2 |
A1 |
739 |
704 |
0.00 |
|
|
|
| 3 |
A1 |
395 |
376 |
0.00 |
|
|
|
| 4 |
B1 |
155 |
148 |
0.00 |
|
|
|
| 5 |
B2 |
2144 |
2042 |
986.95 |
|
|
|
| 6 |
B2 |
1058 |
1007 |
529.94 |
|
|
|
| 7 |
B2 |
588 |
560 |
22.48 |
|
|
|
| 8 |
E |
1296 |
1234 |
302.00 |
|
|
|
| 8 |
E |
1296 |
1234 |
302.00 |
|
|
|
| 9 |
E |
650 |
619 |
31.97 |
|
|
|
| 9 |
E |
650 |
619 |
31.97 |
|
|
|
| 10 |
E |
553 |
527 |
4.60 |
|
|
|
| 10 |
E |
553 |
527 |
4.60 |
|
|
|
| 11 |
E |
86 |
82 |
0.21 |
|
|
|
| 11 |
E |
86 |
82 |
0.21 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5923.6 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 5642.2 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.