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' |
3338 |
3338 |
0.11 |
|
|
|
| 2 |
A' |
3224 |
3224 |
2.90 |
|
|
|
| 3 |
A' |
1754 |
1754 |
128.34 |
|
|
|
| 4 |
A' |
1415 |
1415 |
4.99 |
|
|
|
| 5 |
A' |
1239 |
1239 |
181.92 |
|
|
|
| 6 |
A' |
974 |
974 |
35.03 |
|
|
|
| 7 |
A' |
709 |
709 |
41.76 |
|
|
|
| 8 |
A' |
434 |
434 |
1.97 |
|
|
|
| 9 |
A' |
374 |
374 |
0.16 |
|
|
|
| 10 |
A" |
860 |
860 |
53.62 |
|
|
|
| 11 |
A" |
730 |
730 |
0.30 |
|
|
|
| 12 |
A" |
534 |
534 |
0.04 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 7791.4 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 7791.4 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.