Vibrational Frequencies calculated at CCSD/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' |
3515 |
3282 |
2.40 |
|
|
|
| 2 |
A' |
3244 |
3029 |
27.92 |
|
|
|
| 3 |
A' |
3131 |
2923 |
39.20 |
|
|
|
| 4 |
A' |
1726 |
1612 |
16.81 |
|
|
|
| 5 |
A' |
1524 |
1423 |
4.25 |
|
|
|
| 6 |
A' |
1406 |
1313 |
28.83 |
|
|
|
| 7 |
A' |
1090 |
1018 |
36.25 |
|
|
|
| 8 |
A" |
1176 |
1098 |
54.20 |
|
|
|
| 9 |
A" |
1099 |
1026 |
12.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8955.0 cm
-1
Scaled (by 0.9338) Zero Point Vibrational Energy (zpe) 8362.2 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.