Vibrational Frequencies calculated at MP2/cc-pVTZ
| 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 |
3826 |
3633 |
15.92 |
|
|
|
| 2 |
A1 |
1861 |
1767 |
470.04 |
|
|
|
| 3 |
A1 |
1296 |
1231 |
30.36 |
|
|
|
| 4 |
A1 |
988 |
938 |
18.26 |
|
|
|
| 5 |
A1 |
548 |
521 |
5.46 |
|
|
|
| 6 |
A2 |
538 |
510 |
0.00 |
|
|
|
| 7 |
B1 |
807 |
766 |
46.85 |
|
|
|
| 8 |
B1 |
609 |
579 |
208.23 |
|
|
|
| 9 |
B2 |
3824 |
3631 |
198.79 |
|
|
|
| 10 |
B2 |
1485 |
1410 |
144.61 |
|
|
|
| 11 |
B2 |
1171 |
1111 |
429.01 |
|
|
|
| 12 |
B2 |
604 |
573 |
49.73 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8778.6 cm
-1
Scaled (by 0.9495) Zero Point Vibrational Energy (zpe) 8335.3 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.