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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
wB97X-D/6-31G(2df,p)
Point group is C3v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| As1 |
0.0000 |
0.0000 |
0.6229 |
|
0.0000 |
0.0000 |
0.6229 |
| Cl2 |
0.0000 |
1.8931 |
-0.4030 |
|
1.8931 |
-0.0000 |
-0.4030 |
| Cl3 |
1.6395 |
-0.9466 |
-0.4030 |
|
-0.9466 |
1.6395 |
-0.4030 |
| Cl4 |
-1.6395 |
-0.9466 |
-0.4030 |
|
-0.9466 |
-1.6395 |
-0.4030 |
Atom - Atom Distances (Å)
| |
As1 |
Cl2 |
Cl3 |
Cl4 |
| As1 |
| 2.1533 |
2.1533 |
2.1533 |
| Cl2 |
2.1533 |
| 3.2790 |
3.2790 |
| Cl3 |
2.1533 |
3.2790 |
| 3.2790 |
| Cl4 |
2.1533 |
3.2790 |
3.2790 |
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Maximum atom distance is 3.2790Å
between atoms Cl2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Cl2 |
As1 |
Cl3 |
99.177 |
|
Cl2 |
As1 |
Cl4 |
99.177 |
|
Cl3 |
As1 |
Cl4 |
99.177 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.