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 |
3205 |
3053 |
1.24 |
|
|
|
| 2 |
A1 |
1633 |
1556 |
68.31 |
|
|
|
| 3 |
A1 |
1421 |
1354 |
1.31 |
|
|
|
| 4 |
A1 |
614 |
585 |
13.91 |
|
|
|
| 5 |
A1 |
300 |
286 |
0.06 |
|
|
|
| 6 |
A2 |
690 |
658 |
0.00 |
|
|
|
| 7 |
B1 |
756 |
720 |
70.96 |
|
|
|
| 8 |
B1 |
415 |
395 |
1.26 |
|
|
|
| 9 |
B2 |
3322 |
3165 |
0.00 |
|
|
|
| 10 |
B2 |
1125 |
1072 |
118.54 |
|
|
|
| 11 |
B2 |
827 |
788 |
76.39 |
|
|
|
| 12 |
B2 |
375 |
358 |
0.40 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7341.3 cm
-1
Scaled (by 0.9528) Zero Point Vibrational Energy (zpe) 6994.8 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.