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' |
3310 |
3143 |
9.68 |
|
|
|
| 2 |
A' |
1846 |
1753 |
73.73 |
|
|
|
| 3 |
A' |
1403 |
1332 |
122.86 |
|
|
|
| 4 |
A' |
1305 |
1239 |
190.01 |
|
|
|
| 5 |
A' |
1202 |
1141 |
133.68 |
|
|
|
| 6 |
A' |
951 |
903 |
54.73 |
|
|
|
| 7 |
A' |
633 |
601 |
3.36 |
|
|
|
| 8 |
A' |
492 |
467 |
1.99 |
|
|
|
| 9 |
A' |
234 |
222 |
4.04 |
|
|
|
| 10 |
A" |
783 |
744 |
33.46 |
|
|
|
| 11 |
A" |
591 |
561 |
0.31 |
|
|
|
| 12 |
A" |
316 |
300 |
4.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6532.4 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 6202.5 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.