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 |
A' |
3445 |
3445 |
3.74 |
|
|
|
| 2 |
A' |
3182 |
3182 |
36.10 |
|
|
|
| 3 |
A' |
3078 |
3078 |
37.41 |
|
|
|
| 4 |
A' |
1716 |
1716 |
15.10 |
|
|
|
| 5 |
A' |
1494 |
1494 |
3.00 |
|
|
|
| 6 |
A' |
1397 |
1397 |
38.95 |
|
|
|
| 7 |
A' |
1081 |
1081 |
31.26 |
|
|
|
| 8 |
A" |
1172 |
1172 |
43.24 |
|
|
|
| 9 |
A" |
1079 |
1079 |
12.66 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8821.5 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 8821.5 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.