Vibrational Frequencies calculated at MP3/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' |
3517 |
3323 |
0.40 |
|
|
|
| 2 |
A' |
3198 |
3021 |
27.14 |
|
|
|
| 3 |
A' |
3100 |
2929 |
33.00 |
|
|
|
| 4 |
A' |
1739 |
1642 |
13.61 |
|
|
|
| 5 |
A' |
1514 |
1431 |
5.82 |
|
|
|
| 6 |
A' |
1407 |
1329 |
40.30 |
|
|
|
| 7 |
A' |
1090 |
1030 |
35.44 |
|
|
|
| 8 |
A" |
1190 |
1125 |
45.23 |
|
|
|
| 9 |
A" |
1113 |
1052 |
16.16 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8934.1 cm
-1
Scaled (by 0.9447) Zero Point Vibrational Energy (zpe) 8440.0 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.