Vibrational Frequencies calculated at CCSD/6-311G**
| 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' |
3531 |
3531 |
1.33 |
|
|
|
| 2 |
A' |
3095 |
3095 |
42.09 |
|
|
|
| 3 |
A' |
3007 |
3007 |
78.18 |
|
|
|
| 4 |
A' |
1677 |
1677 |
21.62 |
|
|
|
| 5 |
A' |
1521 |
1521 |
6.05 |
|
|
|
| 6 |
A' |
1486 |
1486 |
2.64 |
|
|
|
| 7 |
A' |
1207 |
1207 |
12.72 |
|
|
|
| 8 |
A' |
1087 |
1087 |
8.45 |
|
|
|
| 9 |
A' |
909 |
909 |
139.16 |
|
|
|
| 10 |
A" |
3610 |
3610 |
0.19 |
|
|
|
| 11 |
A" |
3132 |
3132 |
36.42 |
|
|
|
| 12 |
A" |
1541 |
1541 |
2.24 |
|
|
|
| 13 |
A" |
1380 |
1380 |
0.11 |
|
|
|
| 14 |
A" |
991 |
991 |
0.30 |
|
|
|
| 15 |
A" |
334 |
334 |
38.01 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 14253.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 14253.3 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.