Vibrational Frequencies calculated at CCSD(T)/cc-pVTZ
| 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' |
3158 |
3079 |
|
|
|
|
| 2 |
A' |
3066 |
2988 |
|
|
|
|
| 3 |
A' |
2984 |
2909 |
|
|
|
|
| 4 |
A' |
1493 |
1456 |
|
|
|
|
| 5 |
A' |
1480 |
1443 |
|
|
|
|
| 6 |
A' |
1403 |
1368 |
|
|
|
|
| 7 |
A' |
1070 |
1043 |
|
|
|
|
| 8 |
A' |
987 |
963 |
|
|
|
|
| 9 |
A' |
469 |
457 |
|
|
|
|
| 10 |
A" |
3261 |
3179 |
|
|
|
|
| 11 |
A" |
3109 |
3031 |
|
|
|
|
| 12 |
A" |
1493 |
1455 |
|
|
|
|
| 13 |
A" |
1201 |
1170 |
|
|
|
|
| 14 |
A" |
809 |
788 |
|
|
|
|
| 15 |
A" |
129 |
126 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 13056.1 cm
-1
Scaled (by 0.9748) Zero Point Vibrational Energy (zpe) 12727.1 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.