Vibrational Frequencies calculated at MP2/6-31+G**
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Ag |
3708 |
3488 |
0.00 |
|
|
|
| 2 |
Ag |
3543 |
3332 |
0.00 |
|
|
|
| 3 |
Ag |
1712 |
1611 |
0.00 |
|
|
|
| 4 |
Ag |
1108 |
1043 |
0.00 |
|
|
|
| 5 |
Ag |
456 |
429 |
0.00 |
|
|
|
| 6 |
Ag |
144 |
136 |
0.00 |
|
|
|
| 7 |
Au |
3722 |
3501 |
12.32 |
|
|
|
| 8 |
Au |
1728 |
1625 |
50.06 |
|
|
|
| 9 |
Au |
243 |
229 |
114.74 |
|
|
|
| 10 |
Au |
85 |
80 |
23.66 |
|
|
|
| 11 |
Bg |
3722 |
3501 |
0.00 |
|
|
|
| 12 |
Bg |
1711 |
1609 |
0.00 |
|
|
|
| 13 |
Bg |
111 |
105 |
0.00 |
|
|
|
| 14 |
Bu |
3708 |
3488 |
47.10 |
|
|
|
| 15 |
Bu |
3548 |
3337 |
18.49 |
|
|
|
| 16 |
Bu |
1693 |
1593 |
38.59 |
|
|
|
| 17 |
Bu |
1076 |
1012 |
489.29 |
|
|
|
| 18 |
Bu |
74i |
69i |
241.54 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 15972.7 cm
-1
Scaled (by 0.9406) Zero Point Vibrational Energy (zpe) 15023.9 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.