Vibrational Frequencies calculated at MP3/cc-pV(T+d)Z
| 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' |
3282 |
3282 |
0.47 |
|
|
|
| 2 |
A' |
3187 |
3187 |
3.23 |
|
|
|
| 3 |
A' |
2410 |
2410 |
87.11 |
|
|
|
| 4 |
A' |
1479 |
1479 |
2.44 |
|
|
|
| 5 |
A' |
1052 |
1052 |
25.09 |
|
|
|
| 6 |
A' |
1023 |
1023 |
2.09 |
|
|
|
| 7 |
A' |
751 |
751 |
0.92 |
|
|
|
| 8 |
A" |
927 |
927 |
39.09 |
|
|
|
| 9 |
A" |
870 |
870 |
28.94 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7489.6 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7489.6 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.