Vibrational Frequencies calculated at MP2/cc-pVTZ
| 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 |
3197 |
3036 |
0.00 |
205.04 |
0.12 |
0.21 |
| 2 |
Ag |
1684 |
1599 |
0.00 |
7.78 |
0.01 |
0.02 |
| 3 |
Ag |
1384 |
1314 |
0.00 |
26.26 |
0.34 |
0.51 |
| 4 |
Au |
1076 |
1022 |
0.00 |
0.00 |
0.00 |
0.00 |
| 5 |
B1u |
3179 |
3019 |
9.58 |
0.00 |
0.11 |
0.20 |
| 6 |
B1u |
1485 |
1410 |
8.85 |
0.00 |
0.00 |
0.00 |
| 7 |
B2g |
960 |
911 |
0.00 |
1.40 |
0.75 |
0.86 |
| 8 |
B2u |
3294 |
3128 |
14.33 |
0.00 |
0.65 |
0.79 |
| 9 |
B2u |
828 |
786 |
0.12 |
0.00 |
0.58 |
0.73 |
| 10 |
B3g |
3268 |
3103 |
0.00 |
106.75 |
0.75 |
0.86 |
| 11 |
B3g |
1247 |
1184 |
0.00 |
0.47 |
0.75 |
0.86 |
| 12 |
B3u |
983 |
933 |
92.17 |
0.00 |
0.00 |
0.00 |
Unscaled Zero Point Vibrational Energy (zpe) 11292.2 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 10721.9 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.