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' |
3435 |
3276 |
61.38 |
|
|
|
2 |
A' |
3392 |
3234 |
0.30 |
|
|
|
3 |
A' |
1784 |
1701 |
1.34 |
|
|
|
4 |
A' |
1612 |
1537 |
5.83 |
|
|
|
5 |
A' |
1469 |
1401 |
43.07 |
|
|
|
6 |
A' |
1297 |
1237 |
32.76 |
|
|
|
7 |
A" |
3340 |
3185 |
2.92 |
|
|
|
8 |
A" |
1514 |
1443 |
4.00 |
|
|
|
9 |
A" |
339 |
323 |
151.51 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9090.8 cm
-1
Scaled (by 0.9535) Zero Point Vibrational Energy (zpe) 8668.1 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.