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' |
3351 |
3192 |
1.19 |
|
|
|
| 2 |
A' |
3211 |
3059 |
1.79 |
|
|
|
| 3 |
A' |
2944 |
2804 |
140.38 |
|
|
|
| 4 |
A' |
1956 |
1863 |
392.13 |
|
|
|
| 5 |
A' |
1473 |
1403 |
16.30 |
|
|
|
| 6 |
A' |
1431 |
1363 |
7.61 |
|
|
|
| 7 |
A' |
1135 |
1081 |
57.36 |
|
|
|
| 8 |
A' |
943 |
898 |
9.73 |
|
|
|
| 9 |
A' |
500 |
476 |
14.57 |
|
|
|
| 10 |
A" |
1075 |
1024 |
5.61 |
|
|
|
| 11 |
A" |
667 |
636 |
35.00 |
|
|
|
| 12 |
A" |
366 |
349 |
0.66 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 9525.8 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 9073.3 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.