Vibrational Frequencies calculated at CID/6-311G*
| 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 |
3200 |
2973 |
0.95 |
|
|
|
| 2 |
A1 |
2306 |
2143 |
35.22 |
|
|
|
| 3 |
A1 |
1466 |
1362 |
9.12 |
|
|
|
| 4 |
A1 |
1026 |
953 |
18.23 |
|
|
|
| 5 |
A1 |
964 |
896 |
38.68 |
|
|
|
| 6 |
A2 |
752 |
699 |
0.00 |
|
|
|
| 7 |
B1 |
813 |
755 |
56.54 |
|
|
|
| 8 |
B1 |
480 |
446 |
36.65 |
|
|
|
| 9 |
B2 |
3289 |
3056 |
0.98 |
|
|
|
| 10 |
B2 |
2321 |
2156 |
97.77 |
|
|
|
| 11 |
B2 |
869 |
807 |
84.93 |
|
|
|
| 12 |
B2 |
498 |
463 |
8.07 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8992.4 cm
-1
Scaled (by 0.9291) Zero Point Vibrational Energy (zpe) 8354.9 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.