Vibrational Frequencies calculated at CCSD(T)/cc-pCVTZ
| 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 |
3076 |
2972 |
|
|
|
|
| 2 |
A1 |
1557 |
1504 |
|
|
|
|
| 3 |
A1 |
1141 |
1102 |
|
|
|
|
| 4 |
A1 |
537 |
519 |
|
|
|
|
| 5 |
A2 |
1292 |
1248 |
|
|
|
|
| 6 |
B1 |
3147 |
3040 |
|
|
|
|
| 7 |
B1 |
1203 |
1162 |
|
|
|
|
| 8 |
B2 |
1483 |
1432 |
|
|
|
|
| 9 |
B2 |
1140 |
1101 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7287.6 cm
-1
Scaled (by 0.966) Zero Point Vibrational Energy (zpe) 7039.8 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.