Vibrational Frequencies calculated at MP3/6-311+G(3df,2p)
| 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 |
3675 |
3675 |
29.05 |
|
|
|
| 2 |
A1 |
2606 |
2606 |
102.50 |
|
|
|
| 3 |
A1 |
1678 |
1678 |
85.19 |
|
|
|
| 4 |
A1 |
1385 |
1385 |
74.76 |
|
|
|
| 5 |
A1 |
1174 |
1174 |
1.06 |
|
|
|
| 6 |
A2 |
867 |
867 |
0.00 |
|
|
|
| 7 |
B1 |
1035 |
1035 |
29.16 |
|
|
|
| 8 |
B1 |
630 |
630 |
186.14 |
|
|
|
| 9 |
B2 |
3773 |
3773 |
33.56 |
|
|
|
| 10 |
B2 |
2686 |
2686 |
165.29 |
|
|
|
| 11 |
B2 |
1155 |
1155 |
37.09 |
|
|
|
| 12 |
B2 |
752 |
752 |
0.45 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 10708.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 10708.1 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.