Vibrational Frequencies calculated at MP2=FULL/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 |
A1 |
1601 |
1522 |
0.00 |
|
|
|
| 2 |
A1 |
740 |
703 |
0.00 |
|
|
|
| 3 |
A1 |
396 |
376 |
0.00 |
|
|
|
| 4 |
B1 |
155 |
148 |
0.00 |
|
|
|
| 5 |
B2 |
2147 |
2041 |
988.07 |
|
|
|
| 6 |
B2 |
1059 |
1006 |
530.58 |
|
|
|
| 7 |
B2 |
589 |
560 |
22.47 |
|
|
|
| 8 |
E |
1297 |
1232 |
302.27 |
|
|
|
| 8 |
E |
1297 |
1232 |
302.27 |
|
|
|
| 9 |
E |
653 |
620 |
32.09 |
|
|
|
| 9 |
E |
653 |
620 |
32.09 |
|
|
|
| 10 |
E |
554 |
527 |
4.43 |
|
|
|
| 10 |
E |
554 |
527 |
4.43 |
|
|
|
| 11 |
E |
88 |
83 |
0.20 |
|
|
|
| 11 |
E |
88 |
83 |
0.20 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5934.8 cm
-1
Scaled (by 0.9504) Zero Point Vibrational Energy (zpe) 5640.5 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.