Vibrational Frequencies calculated at AM1
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 |
2208 |
2106 |
0.03 |
|
|
|
2 |
A1 |
812 |
774 |
70.88 |
|
|
|
3 |
A1 |
412 |
393 |
35.04 |
|
|
|
4 |
A1 |
155 |
148 |
8.53 |
|
|
|
5 |
A2 |
636 |
606 |
0.00 |
|
|
|
6 |
B1 |
2214 |
2111 |
1.91 |
|
|
|
7 |
B1 |
477 |
455 |
71.05 |
|
|
|
8 |
B2 |
740 |
706 |
182.27 |
|
|
|
9 |
B2 |
445 |
424 |
108.46 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4049.9 cm
-1
Scaled (by 0.9535) Zero Point Vibrational Energy (zpe) 3861.6 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.