Vibrational Frequencies calculated at MP2/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 |
A' |
3140 |
2990 |
29.94 |
|
|
|
| 2 |
A' |
1516 |
1444 |
0.90 |
|
|
|
| 3 |
A' |
1395 |
1328 |
50.07 |
|
|
|
| 4 |
A' |
1125 |
1071 |
167.75 |
|
|
|
| 5 |
A' |
784 |
747 |
86.83 |
|
|
|
| 6 |
A' |
391 |
373 |
1.55 |
|
|
|
| 7 |
A" |
3227 |
3074 |
16.25 |
|
|
|
| 8 |
A" |
1270 |
1210 |
3.67 |
|
|
|
| 9 |
A" |
1022 |
974 |
1.09 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6934.7 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 6605.3 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.