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 |
A1 |
2998 |
2826 |
75.84 |
|
|
|
| 2 |
A1 |
1621 |
1528 |
15.98 |
|
|
|
| 3 |
A1 |
1478 |
1393 |
19.14 |
|
|
|
| 4 |
B1 |
1179 |
1111 |
13.05 |
|
|
|
| 5 |
B2 |
3095 |
2918 |
122.99 |
|
|
|
| 6 |
B2 |
1243 |
1172 |
5.59 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5806.7 cm
-1
Scaled (by 0.9427) Zero Point Vibrational Energy (zpe) 5474.0 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.