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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
MP4/6-311G**
Point group is C3v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
As1 |
0.0000 |
0.0000 |
0.6369 |
|
0.0000 |
0.0000 |
0.6369 |
Cl2 |
0.0000 |
1.9268 |
-0.4121 |
|
0.0000 |
1.9268 |
-0.4121 |
Cl3 |
1.6687 |
-0.9634 |
-0.4121 |
|
1.6687 |
-0.9634 |
-0.4121 |
Cl4 |
-1.6687 |
-0.9634 |
-0.4121 |
|
-1.6687 |
-0.9634 |
-0.4121 |
Atom - Atom Distances (Å)
|
As1 |
Cl2 |
Cl3 |
Cl4 |
As1 |
| 2.1939 |
2.1939 |
2.1939 |
Cl2 |
2.1939 |
| 3.3374 |
3.3374 |
Cl3 |
2.1939 |
3.3374 |
| 3.3374 |
Cl4 |
2.1939 |
3.3374 |
3.3374 |
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Maximum atom distance is 3.3374Å
between atoms Cl3 and Cl4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl2 |
As1 |
Cl3 |
99.038 |
|
Cl2 |
As1 |
Cl4 |
99.038 |
Cl3 |
As1 |
Cl4 |
99.038 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.