Vibrational Frequencies calculated at CCSD=FULL/cc-pVQZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
3505 |
3505 |
0.48 |
|
|
|
| 2 |
A' |
3189 |
3189 |
24.28 |
|
|
|
| 3 |
A' |
3091 |
3091 |
35.73 |
|
|
|
| 4 |
A' |
1731 |
1731 |
15.00 |
|
|
|
| 5 |
A' |
1511 |
1511 |
7.21 |
|
|
|
| 6 |
A' |
1400 |
1400 |
40.40 |
|
|
|
| 7 |
A' |
1090 |
1090 |
36.75 |
|
|
|
| 8 |
A" |
1183 |
1183 |
44.69 |
|
|
|
| 9 |
A" |
1113 |
1113 |
15.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8906.1 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8906.1 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.