Vibrational Frequencies calculated at MP2=FULL/6-31+G**
| 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' |
3527 |
3313 |
1.14 |
|
|
|
| 2 |
A' |
3270 |
3071 |
25.29 |
|
|
|
| 3 |
A' |
3147 |
2955 |
38.82 |
|
|
|
| 4 |
A' |
1701 |
1598 |
14.84 |
|
|
|
| 5 |
A' |
1520 |
1427 |
3.84 |
|
|
|
| 6 |
A' |
1390 |
1306 |
27.21 |
|
|
|
| 7 |
A' |
1084 |
1018 |
38.86 |
|
|
|
| 8 |
A" |
1181 |
1109 |
58.43 |
|
|
|
| 9 |
A" |
1106 |
1039 |
10.69 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8962.5 cm
-1
Scaled (by 0.9392) Zero Point Vibrational Energy (zpe) 8417.6 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.