Vibrational Frequencies calculated at CCD/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' |
3529 |
3325 |
2.03 |
|
|
|
| 2 |
A' |
3252 |
3065 |
27.91 |
|
|
|
| 3 |
A' |
3140 |
2959 |
36.24 |
|
|
|
| 4 |
A' |
1741 |
1640 |
15.63 |
|
|
|
| 5 |
A' |
1532 |
1443 |
3.47 |
|
|
|
| 6 |
A' |
1410 |
1329 |
28.17 |
|
|
|
| 7 |
A' |
1094 |
1031 |
36.21 |
|
|
|
| 8 |
A" |
1183 |
1114 |
53.76 |
|
|
|
| 9 |
A" |
1105 |
1041 |
13.69 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8992.7 cm
-1
Scaled (by 0.9423) Zero Point Vibrational Energy (zpe) 8473.8 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.