Vibrational Frequencies calculated at MP3/6-31G**
| 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 |
3262 |
3050 |
0.00 |
|
|
|
| 2 |
Ag |
1754 |
1640 |
0.00 |
|
|
|
| 3 |
Ag |
1421 |
1329 |
0.00 |
|
|
|
| 4 |
Au |
1084 |
1013 |
0.00 |
|
|
|
| 5 |
B1u |
3244 |
3033 |
14.44 |
|
|
|
| 6 |
B1u |
1532 |
1432 |
3.69 |
|
|
|
| 7 |
B2g |
947 |
886 |
0.00 |
|
|
|
| 8 |
B2u |
3354 |
3136 |
30.39 |
|
|
|
| 9 |
B2u |
851 |
796 |
0.17 |
|
|
|
| 10 |
B3g |
3331 |
3114 |
0.00 |
|
|
|
| 11 |
B3g |
1275 |
1192 |
0.00 |
|
|
|
| 12 |
B3u |
995 |
930 |
80.45 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11524.5 cm
-1
Scaled (by 0.9349) Zero Point Vibrational Energy (zpe) 10774.3 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.