Vibrational Frequencies calculated at MP2=FULL/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 |
3259 |
3045 |
0.00 |
171.38 |
0.12 |
0.22 |
| 2 |
Ag |
1730 |
1616 |
0.00 |
4.25 |
0.29 |
0.45 |
| 3 |
Ag |
1414 |
1322 |
0.00 |
25.14 |
0.41 |
0.58 |
| 4 |
Au |
1091 |
1020 |
0.00 |
0.00 |
0.00 |
0.00 |
| 5 |
B1u |
3241 |
3028 |
11.26 |
0.00 |
0.00 |
0.00 |
| 6 |
B1u |
1525 |
1425 |
4.03 |
0.00 |
0.00 |
0.00 |
| 7 |
B2g |
942 |
880 |
0.00 |
0.15 |
0.75 |
0.86 |
| 8 |
B2u |
3359 |
3139 |
24.12 |
0.00 |
0.00 |
0.00 |
| 9 |
B2u |
848 |
792 |
0.42 |
0.00 |
0.00 |
0.00 |
| 10 |
B3g |
3336 |
3117 |
0.00 |
102.04 |
0.75 |
0.86 |
| 11 |
B3g |
1267 |
1184 |
0.00 |
1.65 |
0.75 |
0.86 |
| 12 |
B3u |
994 |
929 |
82.24 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 11503.0 cm
-1
Scaled (by 0.9344) Zero Point Vibrational Energy (zpe) 10748.4 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.