Vibrational Frequencies calculated at MP2/LANL2DZ
| 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' |
3643 |
3509 |
43.33 |
|
|
|
| 2 |
A' |
3282 |
3161 |
6.86 |
|
|
|
| 3 |
A' |
3137 |
3021 |
6.42 |
|
|
|
| 4 |
A' |
1580 |
1522 |
7.54 |
|
|
|
| 5 |
A' |
1441 |
1387 |
4.96 |
|
|
|
| 6 |
A' |
1276 |
1229 |
85.26 |
|
|
|
| 7 |
A' |
1152 |
1109 |
6.36 |
|
|
|
| 8 |
A' |
781 |
752 |
69.47 |
|
|
|
| 9 |
A' |
481 |
463 |
11.35 |
|
|
|
| 10 |
A" |
966 |
930 |
67.44 |
|
|
|
| 11 |
A" |
773 |
745 |
3.23 |
|
|
|
| 12 |
A" |
387 |
372 |
209.25 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9449.4 cm
-1
Scaled (by 0.9631) Zero Point Vibrational Energy (zpe) 9100.7 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.