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 |
A' |
3192 |
3031 |
15.01 |
|
|
|
2 |
A' |
1355 |
1286 |
70.37 |
|
|
|
3 |
A' |
1143 |
1085 |
225.41 |
|
|
|
4 |
A' |
831 |
789 |
149.07 |
|
|
|
5 |
A' |
607 |
576 |
6.50 |
|
|
|
6 |
A' |
421 |
399 |
0.16 |
|
|
|
7 |
A" |
1403 |
1332 |
17.06 |
|
|
|
8 |
A" |
1174 |
1115 |
222.61 |
|
|
|
9 |
A" |
373 |
354 |
0.63 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5248.7 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 4983.7 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.