Vibrational Frequencies calculated at MP2/CEP-121G*
| 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 |
1575 |
1501 |
0.00 |
|
|
|
| 2 |
A1 |
722 |
688 |
0.00 |
|
|
|
| 3 |
A1 |
385 |
367 |
0.00 |
|
|
|
| 4 |
B1 |
155 |
148 |
0.00 |
|
|
|
| 5 |
B2 |
2094 |
1995 |
1051.60 |
|
|
|
| 6 |
B2 |
1042 |
993 |
539.80 |
|
|
|
| 7 |
B2 |
572 |
545 |
22.30 |
|
|
|
| 8 |
E |
1262 |
1203 |
323.15 |
|
|
|
| 8 |
E |
1262 |
1203 |
323.15 |
|
|
|
| 9 |
E |
602 |
574 |
32.85 |
|
|
|
| 9 |
E |
602 |
574 |
32.85 |
|
|
|
| 10 |
E |
544 |
518 |
1.43 |
|
|
|
| 10 |
E |
544 |
518 |
1.43 |
|
|
|
| 11 |
E |
95 |
91 |
0.08 |
|
|
|
| 11 |
E |
95 |
91 |
0.08 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5776.1 cm
-1
Scaled (by 0.9528) Zero Point Vibrational Energy (zpe) 5503.5 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.