Vibrational Frequencies calculated at MP2=FULL/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' |
3213 |
3051 |
2.78 |
|
|
|
| 2 |
A' |
1368 |
1299 |
13.34 |
|
|
|
| 3 |
A' |
1128 |
1071 |
182.70 |
|
|
|
| 4 |
A' |
764 |
725 |
38.17 |
|
|
|
| 5 |
A' |
470 |
446 |
1.26 |
|
|
|
| 6 |
A' |
284 |
270 |
0.09 |
|
|
|
| 7 |
A" |
1286 |
1221 |
53.61 |
|
|
|
| 8 |
A" |
840 |
798 |
229.54 |
|
|
|
| 9 |
A" |
377 |
358 |
0.23 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 4865.1 cm
-1
Scaled (by 0.9494) Zero Point Vibrational Energy (zpe) 4618.9 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.