Vibrational Frequencies calculated at MP2/6-31G
| 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 |
3184 |
3047 |
0.62 |
|
|
|
| 2 |
A1 |
2225 |
2129 |
50.41 |
|
|
|
| 3 |
A1 |
1479 |
1415 |
1.61 |
|
|
|
| 4 |
A1 |
959 |
917 |
58.53 |
|
|
|
| 5 |
A1 |
905 |
865 |
22.33 |
|
|
|
| 6 |
A2 |
758 |
725 |
0.00 |
|
|
|
| 7 |
B1 |
839 |
803 |
62.76 |
|
|
|
| 8 |
B1 |
440 |
421 |
21.32 |
|
|
|
| 9 |
B2 |
3289 |
3147 |
2.14 |
|
|
|
| 10 |
B2 |
2253 |
2156 |
148.71 |
|
|
|
| 11 |
B2 |
910 |
871 |
75.44 |
|
|
|
| 12 |
B2 |
493 |
472 |
13.53 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8867.3 cm
-1
Scaled (by 0.9568) Zero Point Vibrational Energy (zpe) 8484.3 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.