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' |
3750 |
3560 |
96.40 |
|
|
|
| 2 |
A' |
1872 |
1778 |
249.10 |
|
|
|
| 3 |
A' |
1351 |
1283 |
148.76 |
|
|
|
| 4 |
A' |
1334 |
1267 |
177.55 |
|
|
|
| 5 |
A' |
910 |
864 |
202.11 |
|
|
|
| 6 |
A' |
672 |
638 |
8.76 |
|
|
|
| 7 |
A' |
593 |
563 |
10.25 |
|
|
|
| 8 |
A" |
783 |
743 |
8.13 |
|
|
|
| 9 |
A" |
498 |
473 |
117.26 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5880.8 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 5583.8 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.