Vibrational Frequencies calculated at CID/CEP-121G
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
Ag |
3116 |
2879 |
0.00 |
|
|
|
| 2 |
Ag |
1668 |
1542 |
0.00 |
|
|
|
| 3 |
Ag |
1380 |
1275 |
0.00 |
|
|
|
| 4 |
Au |
1030 |
952 |
0.00 |
|
|
|
| 5 |
B1u |
3084 |
2849 |
25.16 |
|
|
|
| 6 |
B1u |
1505 |
1390 |
6.57 |
|
|
|
| 7 |
B2g |
841 |
778 |
0.00 |
|
|
|
| 8 |
B2u |
3210 |
2966 |
60.21 |
|
|
|
| 9 |
B2u |
837 |
774 |
1.43 |
|
|
|
| 10 |
B3g |
3179 |
2938 |
0.00 |
|
|
|
| 11 |
B3g |
1252 |
1157 |
0.00 |
|
|
|
| 12 |
B3u |
963 |
889 |
124.72 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11032.3 cm
-1
Scaled (by 0.924) Zero Point Vibrational Energy (zpe) 10193.9 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.