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 |
3294 |
3139 |
9.12 |
|
|
|
| 2 |
A1 |
1740 |
1658 |
53.66 |
|
|
|
| 3 |
A1 |
1283 |
1223 |
40.95 |
|
|
|
| 4 |
A1 |
1012 |
965 |
64.16 |
|
|
|
| 5 |
A1 |
229 |
219 |
2.32 |
|
|
|
| 6 |
A2 |
765 |
729 |
0.00 |
|
|
|
| 7 |
A2 |
479 |
456 |
0.00 |
|
|
|
| 8 |
B1 |
768 |
732 |
54.29 |
|
|
|
| 9 |
B2 |
3272 |
3118 |
4.46 |
|
|
|
| 10 |
B2 |
1396 |
1330 |
33.51 |
|
|
|
| 11 |
B2 |
1144 |
1090 |
119.12 |
|
|
|
| 12 |
B2 |
761 |
725 |
30.07 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8072.2 cm
-1
Scaled (by 0.9528) Zero Point Vibrational Energy (zpe) 7691.2 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.