Vibrational Frequencies calculated at QCISD/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 |
A' |
1609 |
1551 |
266.14 |
|
|
|
| 2 |
A' |
735 |
708 |
79.21 |
|
|
|
| 3 |
A' |
602 |
580 |
83.58 |
|
|
|
| 4 |
A' |
338 |
326 |
14.17 |
|
|
|
| 5 |
A' |
199 |
192 |
0.28 |
|
|
|
| 6 |
A" |
148 |
143 |
0.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 1815.5 cm
-1
Scaled (by 0.9636) Zero Point Vibrational Energy (zpe) 1749.5 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.