Vibrational Frequencies calculated at MP2/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' |
3308 |
3151 |
1.48 |
|
|
|
| 2 |
A' |
3266 |
3111 |
1.84 |
|
|
|
| 3 |
A' |
3155 |
3005 |
1.12 |
|
|
|
| 4 |
A' |
1850 |
1762 |
2.54 |
|
|
|
| 5 |
A' |
1410 |
1343 |
9.90 |
|
|
|
| 6 |
A' |
1093 |
1041 |
11.47 |
|
|
|
| 7 |
A' |
743 |
707 |
19.31 |
|
|
|
| 8 |
A" |
1044 |
994 |
80.67 |
|
|
|
| 9 |
A" |
972 |
926 |
13.68 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8420.0 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 8020.1 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.