Vibrational Frequencies calculated at MP2/6-311G**
| 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 |
3234 |
3073 |
28.98 |
100.17 |
0.17 |
0.28 |
| 2 |
A1 |
2235 |
2123 |
457.65 |
3.56 |
0.67 |
0.80 |
| 3 |
A1 |
1415 |
1344 |
19.03 |
3.25 |
0.37 |
0.54 |
| 4 |
A1 |
1157 |
1099 |
2.09 |
32.10 |
0.28 |
0.44 |
| 5 |
B1 |
587 |
558 |
7.24 |
0.61 |
0.75 |
0.86 |
| 6 |
B1 |
498 |
473 |
141.35 |
2.69 |
0.75 |
0.86 |
| 7 |
B2 |
3346 |
3180 |
9.64 |
54.53 |
0.75 |
0.86 |
| 8 |
B2 |
992 |
942 |
6.16 |
0.04 |
0.75 |
0.86 |
| 9 |
B2 |
441 |
419 |
2.08 |
0.00 |
0.75 |
0.86 |
Unscaled Zero Point Vibrational Energy (zpe) 6951.5 cm
-1
Scaled (by 0.9502) Zero Point Vibrational Energy (zpe) 6605.3 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.