Vibrational Frequencies calculated at MP2=FULL/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 |
A' |
3837 |
3604 |
172.56 |
|
|
|
| 2 |
A' |
2259 |
2121 |
84.65 |
|
|
|
| 3 |
A' |
1232 |
1157 |
98.00 |
|
|
|
| 4 |
A' |
1074 |
1009 |
69.89 |
|
|
|
| 5 |
A' |
426 |
400 |
15.92 |
|
|
|
| 6 |
A" |
473 |
444 |
1.72 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4650.0 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 4367.3 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.