Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
1335 |
1269 |
589.48 |
|
|
|
| 2 |
A1 |
995 |
946 |
109.11 |
|
|
|
| 3 |
A1 |
710 |
675 |
0.88 |
|
|
|
| 4 |
A1 |
361 |
343 |
52.56 |
|
|
|
| 5 |
A1 |
205 |
195 |
22.76 |
|
|
|
| 6 |
A2 |
108 |
103 |
0.00 |
|
|
|
| 7 |
B1 |
858 |
816 |
17.69 |
|
|
|
| 8 |
B1 |
102 |
97 |
55.45 |
|
|
|
| 9 |
B2 |
1613 |
1533 |
757.79 |
|
|
|
| 10 |
B2 |
744 |
707 |
13.63 |
|
|
|
| 11 |
B2 |
386 |
367 |
131.85 |
|
|
|
| 12 |
B2 |
372 |
354 |
5.36 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 3895.0 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 3701.0 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.