Vibrational Frequencies calculated at MP3/6-31+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 |
A1 |
1975 |
1838 |
494.02 |
|
|
|
| 2 |
A1 |
1143 |
1064 |
150.21 |
|
|
|
| 3 |
A1 |
910 |
846 |
199.89 |
|
|
|
| 4 |
A1 |
761 |
708 |
78.01 |
|
|
|
| 5 |
B1 |
812 |
755 |
47.15 |
|
|
|
| 6 |
B1 |
300 |
279 |
81.62 |
|
|
|
| 7 |
B2 |
1265 |
1177 |
502.24 |
|
|
|
| 8 |
B2 |
823 |
766 |
46.35 |
|
|
|
| 9 |
B2 |
588 |
547 |
1.40 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4288.2 cm
-1
Scaled (by 0.9305) Zero Point Vibrational Energy (zpe) 3990.2 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.