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' |
3499 |
3499 |
2.05 |
|
|
|
| 2 |
A' |
3107 |
3107 |
44.99 |
|
|
|
| 3 |
A' |
3014 |
3014 |
78.21 |
|
|
|
| 4 |
A' |
1676 |
1676 |
15.88 |
|
|
|
| 5 |
A' |
1503 |
1503 |
6.83 |
|
|
|
| 6 |
A' |
1467 |
1467 |
3.61 |
|
|
|
| 7 |
A' |
1206 |
1206 |
12.20 |
|
|
|
| 8 |
A' |
1090 |
1090 |
9.26 |
|
|
|
| 9 |
A' |
917 |
917 |
118.95 |
|
|
|
| 10 |
A" |
3579 |
3579 |
0.47 |
|
|
|
| 11 |
A" |
3147 |
3147 |
34.09 |
|
|
|
| 12 |
A" |
1522 |
1522 |
1.66 |
|
|
|
| 13 |
A" |
1375 |
1375 |
0.22 |
|
|
|
| 14 |
A" |
988 |
988 |
0.21 |
|
|
|
| 15 |
A" |
341 |
341 |
36.02 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 14215.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 14215.3 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.