Vibrational Frequencies calculated at MP2/TZVP
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
2923 |
2771 |
288.81 |
|
|
|
| 2 |
A1 |
1523 |
1444 |
84.01 |
|
|
|
| 3 |
A1 |
1201 |
1139 |
290.10 |
|
|
|
| 4 |
A1 |
454 |
431 |
40.25 |
|
|
|
| 5 |
E |
2953 |
2799 |
177.58 |
|
|
|
| 5 |
E |
2953 |
2799 |
177.58 |
|
|
|
| 6 |
E |
1508 |
1430 |
2.90 |
|
|
|
| 6 |
E |
1508 |
1430 |
2.90 |
|
|
|
| 7 |
E |
1207 |
1144 |
0.14 |
|
|
|
| 7 |
E |
1207 |
1144 |
0.14 |
|
|
|
| 8 |
E |
114 |
108 |
48.32 |
|
|
|
| 8 |
E |
114 |
108 |
48.32 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8833.3 cm
-1
Scaled (by 0.9479) Zero Point Vibrational Energy (zpe) 8373.1 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.