Vibrational Frequencies calculated at MP2=FULL/cc-pVDZ
| 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' |
2608 |
2479 |
0.00 |
|
|
|
| 2 |
A2" |
1174 |
1116 |
93.20 |
|
|
|
| 3 |
E' |
2750 |
2614 |
136.83 |
|
|
|
| 3 |
E' |
2750 |
2614 |
136.83 |
|
|
|
| 4 |
E' |
1230 |
1169 |
19.26 |
|
|
|
| 4 |
E' |
1230 |
1169 |
19.26 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5871.1 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 5579.9 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.