Vibrational Frequencies calculated at MP3/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' |
3533 |
3349 |
1.36 |
|
|
|
| 2 |
A' |
3128 |
2965 |
44.06 |
|
|
|
| 3 |
A' |
3035 |
2877 |
74.87 |
|
|
|
| 4 |
A' |
1679 |
1591 |
16.50 |
|
|
|
| 5 |
A' |
1506 |
1428 |
6.87 |
|
|
|
| 6 |
A' |
1470 |
1393 |
3.25 |
|
|
|
| 7 |
A' |
1208 |
1145 |
12.26 |
|
|
|
| 8 |
A' |
1097 |
1040 |
9.69 |
|
|
|
| 9 |
A' |
919 |
871 |
119.30 |
|
|
|
| 10 |
A" |
3610 |
3422 |
0.18 |
|
|
|
| 11 |
A" |
3169 |
3004 |
32.77 |
|
|
|
| 12 |
A" |
1524 |
1445 |
1.81 |
|
|
|
| 13 |
A" |
1378 |
1307 |
0.25 |
|
|
|
| 14 |
A" |
989 |
938 |
0.17 |
|
|
|
| 15 |
A" |
342 |
324 |
36.42 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 14292.9 cm
-1
Scaled (by 0.9479) Zero Point Vibrational Energy (zpe) 13548.2 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.