Vibrational Frequencies calculated at MP2=FULL/SDD
| 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 |
3162 |
2980 |
0.00 |
|
|
|
| 2 |
Ag |
1643 |
1549 |
0.00 |
|
|
|
| 3 |
Ag |
1378 |
1299 |
0.00 |
|
|
|
| 4 |
Au |
1044 |
984 |
0.00 |
|
|
|
| 5 |
B1u |
3133 |
2954 |
24.07 |
|
|
|
| 6 |
B1u |
1511 |
1424 |
9.38 |
|
|
|
| 7 |
B2g |
810 |
763 |
0.00 |
|
|
|
| 8 |
B2u |
3274 |
3086 |
56.14 |
|
|
|
| 9 |
B2u |
826 |
778 |
3.05 |
|
|
|
| 10 |
B3g |
3238 |
3053 |
0.00 |
|
|
|
| 11 |
B3g |
1264 |
1191 |
0.00 |
|
|
|
| 12 |
B3u |
961 |
906 |
139.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11121.2 cm
-1
Scaled (by 0.9427) Zero Point Vibrational Energy (zpe) 10483.9 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.