Vibrational Frequencies calculated at CCSD=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 |
2655 |
2655 |
39.96 |
|
|
|
| 2 |
A1 |
2199 |
2199 |
106.91 |
|
|
|
| 3 |
A1 |
1369 |
1369 |
58.04 |
|
|
|
| 4 |
A1 |
998 |
998 |
1.60 |
|
|
|
| 5 |
A2 |
833 |
833 |
0.00 |
|
|
|
| 6 |
B1 |
2776 |
2776 |
86.09 |
|
|
|
| 7 |
B1 |
1059 |
1059 |
1.27 |
|
|
|
| 8 |
B2 |
2019 |
2019 |
0.35 |
|
|
|
| 9 |
B2 |
750 |
750 |
0.00 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7328.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7328.5 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.