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 |
A' |
3361 |
3205 |
187.28 |
|
|
|
2 |
A' |
2172 |
2071 |
637.92 |
|
|
|
3 |
A' |
1734 |
1653 |
323.75 |
|
|
|
4 |
A' |
1539 |
1468 |
34.30 |
|
|
|
5 |
A' |
1320 |
1259 |
167.94 |
|
|
|
6 |
A' |
712 |
679 |
52.43 |
|
|
|
7 |
A' |
654 |
624 |
6.41 |
|
|
|
8 |
A" |
686 |
654 |
55.26 |
|
|
|
9 |
A" |
449 |
428 |
138.33 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6313.6 cm
-1
Scaled (by 0.9535) Zero Point Vibrational Energy (zpe) 6020.0 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.