Vibrational Frequencies calculated at MP3=FULL/6-31G(2df,p)
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
A1 |
2322 |
2322 |
53.32 |
|
|
|
2 |
A1 |
1660 |
1660 |
29.06 |
|
|
|
3 |
A1 |
983 |
983 |
62.21 |
|
|
|
4 |
A1 |
707 |
707 |
42.15 |
|
|
|
5 |
A2 |
874 |
874 |
0.00 |
|
|
|
6 |
B1 |
1682 |
1682 |
61.07 |
|
|
|
7 |
B1 |
897 |
897 |
118.73 |
|
|
|
8 |
B2 |
2327 |
2327 |
103.98 |
|
|
|
9 |
B2 |
774 |
774 |
89.71 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6113.3 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 6113.3 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.
Geometric Data calculated at MP3=FULL/6-31G(2df,p)
Point Group is C2v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
-0.000 |
H2 |
0.000 |
1.203 |
0.851 |
H3 |
0.000 |
-1.203 |
0.851 |
H4 |
-1.203 |
0.000 |
-0.851 |
H5 |
1.203 |
0.000 |
-0.851 |
Atom - Atom Distances (Å)
|
Si1 |
H2 |
H3 |
H4 |
H5 |
Si1 | | 1.4734 | 1.4734 | 1.4734 | 1.4734 |
H2 | 1.4734 | | 2.4060 | 2.4060 | 2.4060 | H3 | 1.4734 | 2.4060 | | 2.4060 | 2.4060 | H4 | 1.4734 | 2.4060 | 2.4060 | | 2.4060 | H5 | 1.4734 | 2.4060 | 2.4060 | 2.4060 | |
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