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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 SiCl2 (Dichlorosilylene)
1A1 C2V
1910171554
InChI=1S/Cl2Si/c1-3-2 INChIKey=BUMGIEFFCMBQDG-UHFFFAOYSA-N
PBEPBE/3-21G
Point group is C2v
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0000 |
0.0000 |
0.9915 |
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0.9915 |
0.0000 |
0.0000 |
Cl2 |
0.0000 |
1.7439 |
-0.4082 |
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-0.4082 |
0.0000 |
1.7439 |
Cl3 |
0.0000 |
-1.7439 |
-0.4082 |
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-0.4082 |
0.0000 |
-1.7439 |
Atom - Atom Distances (Å)
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Si1 |
Cl2 |
Cl3 |
Si1 |
| 2.2362 |
2.2362 |
Cl2 |
2.2362 |
| 3.4878 |
Cl3 |
2.2362 |
3.4878 |
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Maximum atom distance is 3.4878Å
between atoms Cl2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Cl2 |
Si1 |
Cl3 |
102.498 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.