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' |
3303 |
3147 |
4.80 |
|
|
|
| 2 |
A' |
3225 |
3072 |
2.95 |
|
|
|
| 3 |
A' |
3194 |
3042 |
1.75 |
|
|
|
| 4 |
A' |
2770 |
2639 |
2.54 |
|
|
|
| 5 |
A' |
1656 |
1577 |
31.07 |
|
|
|
| 6 |
A' |
1425 |
1357 |
7.80 |
|
|
|
| 7 |
A' |
1299 |
1237 |
1.57 |
|
|
|
| 8 |
A' |
1083 |
1032 |
20.87 |
|
|
|
| 9 |
A' |
896 |
853 |
4.74 |
|
|
|
| 10 |
A' |
721 |
687 |
16.91 |
|
|
|
| 11 |
A' |
378 |
360 |
3.90 |
|
|
|
| 12 |
A" |
992 |
945 |
24.91 |
|
|
|
| 13 |
A" |
862 |
821 |
35.08 |
|
|
|
| 14 |
A" |
599 |
570 |
11.23 |
|
|
|
| 15 |
A" |
265 |
253 |
16.93 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 11333.4 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 10795.1 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.