Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for Al₂Cl₆ (Aluminum, di-μ-chlorotetrachlorodi-)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

Geometric Data calculated at CCD/6-31G(2df,p)

Point Group is D_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
Al1	1.595	0.000	0.000
Al2	-1.595	0.000	0.000
Cl3	0.000	0.000	1.620
Cl4	0.000	0.000	-1.620
Cl5	2.606	1.818	0.000
Cl6	2.606	-1.818	0.000
Cl7	-2.606	1.818	0.000
Cl8	-2.606	-1.818	0.000

Atom - Atom Distances (Å)

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1895	2.2731	2.2731	2.0798	2.0798	4.5769	4.5769
Al2	3.1895		2.2731	2.2731	4.5769	4.5769	2.0798	2.0798
Cl3	2.2731	2.2731		3.2396	3.5661	3.5661	3.5661	3.5661
Cl4	2.2731	2.2731	3.2396		3.5661	3.5661	3.5661	3.5661
Cl5	2.0798	4.5769	3.5661	3.5661		3.6350	5.2117	6.3541
Cl6	2.0798	4.5769	3.5661	3.5661	3.6350		6.3541	5.2117
Cl7	4.5769	2.0798	3.5661	3.5661	5.2117	6.3541		3.6350
Cl8	4.5769	2.0798	3.5661	3.5661	6.3541	5.2117	3.6350

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.108		Al1	Cl4	Al2	89.108
Cl3	Al1	Cl4	90.892		Cl3	Al1	Cl5	109.942
Cl3	Al1	Cl6	109.942		Cl3	Al2	Cl4	90.892
Cl3	Al2	Cl7	109.942		Cl3	Al2	Cl8	109.942
Cl4	Al1	Cl5	109.942		Cl4	Al1	Cl6	109.942
Cl4	Al2	Cl7	109.942		Cl4	Al2	Cl8	109.942
Cl5	Al1	Cl6	121.826		Cl7	Al2	Cl8	121.826