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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 AsCl3 (Arsenous trichloride)
1A1 C3V
1910171554
1S/AsCl3/c2-1(3)4 INChIKey=OEYOHULQRFXULB-UHFFFAOYSA-N
B97D3/6-311+G(3df,2p)
Point group is C3v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
As1 |
0.0000 |
0.0000 |
0.6256 |
|
0.0000 |
0.0000 |
0.6256 |
Cl2 |
0.0000 |
1.9466 |
-0.4048 |
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0.0000 |
1.9466 |
-0.4048 |
Cl3 |
1.6858 |
-0.9733 |
-0.4048 |
|
1.6858 |
-0.9733 |
-0.4048 |
Cl4 |
-1.6858 |
-0.9733 |
-0.4048 |
|
-1.6858 |
-0.9733 |
-0.4048 |
Atom - Atom Distances (Å)
|
As1 |
Cl2 |
Cl3 |
Cl4 |
As1 |
| 2.2025 |
2.2025 |
2.2025 |
Cl2 |
2.2025 |
| 3.3716 |
3.3716 |
Cl3 |
2.2025 |
3.3716 |
| 3.3716 |
Cl4 |
2.2025 |
3.3716 |
3.3716 |
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Maximum atom distance is 3.3716Å
between atoms Cl3 and Cl4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl2 |
As1 |
Cl3 |
100.153 |
|
Cl2 |
As1 |
Cl4 |
100.153 |
Cl3 |
As1 |
Cl4 |
100.153 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.