Vibrational Frequencies calculated at MP2/6-31G**
| 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 |
3256 |
3049 |
0.00 |
172.13 |
0.12 |
0.22 |
| 2 |
Ag |
1726 |
1617 |
0.00 |
4.27 |
0.29 |
0.46 |
| 3 |
Ag |
1412 |
1323 |
0.00 |
25.18 |
0.41 |
0.58 |
| 4 |
Au |
1089 |
1020 |
0.00 |
0.00 |
0.00 |
0.00 |
| 5 |
B1u |
3238 |
3032 |
11.42 |
0.00 |
0.00 |
0.00 |
| 6 |
B1u |
1522 |
1426 |
3.88 |
0.00 |
0.00 |
0.00 |
| 7 |
B2g |
938 |
878 |
0.00 |
0.15 |
0.75 |
0.86 |
| 8 |
B2u |
3356 |
3143 |
24.56 |
0.00 |
0.00 |
0.00 |
| 9 |
B2u |
846 |
792 |
0.40 |
0.00 |
0.00 |
0.00 |
| 10 |
B3g |
3333 |
3121 |
0.00 |
102.60 |
0.75 |
0.86 |
| 11 |
B3g |
1266 |
1186 |
0.00 |
1.65 |
0.75 |
0.86 |
| 12 |
B3u |
992 |
929 |
82.09 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 11487.7 cm
-1
Scaled (by 0.9365) Zero Point Vibrational Energy (zpe) 10758.2 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.