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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for SiH2(CH3)2 (dimethylsilane)
1A1 C2V
1910171554
InChI=1S/C2H8Si/c1-3-2/h3H2,1-2H3 INChIKey=UBHZUDXTHNMNLD-UHFFFAOYSA-N
B97D3/6-311+G(3df,2p)
Point group is C2v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.5520 |
|
0.0000 |
0.5520 |
0.0000 |
| H2 |
-1.2044 |
0.0000 |
1.4356 |
|
0.0000 |
1.4356 |
-1.2044 |
| H3 |
1.2044 |
0.0000 |
1.4356 |
|
0.0000 |
1.4356 |
1.2044 |
| C4 |
0.0000 |
1.5545 |
-0.5141 |
|
1.5545 |
-0.5141 |
0.0000 |
| C5 |
0.0000 |
-1.5545 |
-0.5141 |
|
-1.5545 |
-0.5141 |
0.0000 |
| H6 |
0.0000 |
2.4597 |
0.1020 |
|
2.4597 |
0.1020 |
0.0000 |
| H7 |
0.0000 |
-2.4597 |
0.1020 |
|
-2.4597 |
0.1020 |
0.0000 |
| H8 |
0.8856 |
1.5859 |
-1.1585 |
|
1.5859 |
-1.1585 |
0.8856 |
| H9 |
-0.8856 |
1.5859 |
-1.1585 |
|
1.5859 |
-1.1585 |
-0.8856 |
| H10 |
-0.8856 |
-1.5859 |
-1.1585 |
|
-1.5859 |
-1.1585 |
-0.8856 |
| H11 |
0.8856 |
-1.5859 |
-1.1585 |
|
-1.5859 |
-1.1585 |
0.8856 |
Atom - Atom Distances (Å)
| |
Si1 |
H2 |
H3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
| Si1 |
| 1.4937 |
1.4937 |
1.8850 |
1.8850 |
2.5006 |
2.5006 |
2.4950 |
2.4950 |
2.4950 |
2.4950 |
| H2 |
1.4937 |
| 2.4087 |
2.7692 |
2.7692 |
3.0462 |
3.0462 |
3.6894 |
3.0571 |
3.0571 |
3.6894 |
| H3 |
1.4937 |
2.4087 |
| 2.7692 |
2.7692 |
3.0462 |
3.0462 |
3.0571 |
3.6894 |
3.6894 |
3.0571 |
| C4 |
1.8850 |
2.7692 |
2.7692 |
| 3.1091 |
1.0950 |
4.0613 |
1.0956 |
1.0956 |
3.3259 |
3.3259 |
| C5 |
1.8850 |
2.7692 |
2.7692 |
3.1091 |
| 4.0613 |
1.0950 |
3.3259 |
3.3259 |
1.0956 |
1.0956 |
| H6 |
2.5006 |
3.0462 |
3.0462 |
1.0950 |
4.0613 |
| 4.9195 |
1.7711 |
1.7711 |
4.3290 |
4.3290 |
| H7 |
2.5006 |
3.0462 |
3.0462 |
4.0613 |
1.0950 |
4.9195 |
| 4.3290 |
4.3290 |
1.7711 |
1.7711 |
| H8 |
2.4950 |
3.6894 |
3.0571 |
1.0956 |
3.3259 |
1.7711 |
4.3290 |
| 1.7712 |
3.6328 |
3.1718 |
| H9 |
2.4950 |
3.0571 |
3.6894 |
1.0956 |
3.3259 |
1.7711 |
4.3290 |
1.7712 |
| 3.1718 |
3.6328 |
| H10 |
2.4950 |
3.0571 |
3.6894 |
3.3259 |
1.0956 |
4.3290 |
1.7711 |
3.6328 |
3.1718 |
| 1.7712 |
| H11 |
2.4950 |
3.6894 |
3.0571 |
3.3259 |
1.0956 |
4.3290 |
1.7711 |
3.1718 |
3.6328 |
1.7712 |
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Maximum atom distance is 4.9195Å
between atoms H6 and H7.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C4 |
Si1 |
C5 |
111.301 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Si1 |
C4 |
H6 |
111.074 |
|
Si1 |
C4 |
H8 |
110.962 |
|
Si1 |
C4 |
H9 |
110.962 |
|
Si1 |
C5 |
H7 |
111.074 |
|
Si1 |
C5 |
H10 |
110.962 |
|
Si1 |
C5 |
H11 |
110.962 |
|
H2 |
Si1 |
H3 |
107.553 |
|
H2 |
Si1 |
C4 |
109.477 |
|
H2 |
Si1 |
C5 |
109.477 |
|
H3 |
Si1 |
C4 |
109.477 |
|
H3 |
Si1 |
C5 |
109.477 |
|
H6 |
C4 |
H8 |
107.902 |
|
H6 |
C4 |
H9 |
107.902 |
|
H7 |
C5 |
H10 |
107.902 |
|
H7 |
C5 |
H11 |
107.902 |
|
H8 |
C4 |
H9 |
107.899 |
|
H10 |
C5 |
H11 |
107.899 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.