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: CCSD=FULL/cc-pVTZ

States and conformations

Geometric Data calculated at CCSD=FULL/cc-pVTZ

Point Group is D_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
Al1	1.588	0.000	0.000
Al2	-1.588	0.000	0.000
Cl3	0.000	0.000	1.619
Cl4	0.000	0.000	-1.619
Cl5	2.597	1.820	0.000
Cl6	2.597	-1.820	0.000
Cl7	-2.597	1.820	0.000
Cl8	-2.597	-1.820	0.000

Atom - Atom Distances (Å)

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1767	2.2679	2.2679	2.0811	2.0811	4.5640	4.5640
Al2	3.1767		2.2679	2.2679	4.5640	4.5640	2.0811	2.0811
Cl3	2.2679	2.2679		3.2375	3.5606	3.5606	3.5606	3.5606
Cl4	2.2679	2.2679	3.2375		3.5606	3.5606	3.5606	3.5606
Cl5	2.0811	4.5640	3.5606	3.5606		3.6407	5.1937	6.3427
Cl6	2.0811	4.5640	3.5606	3.5606	3.6407		6.3427	5.1937
Cl7	4.5640	2.0811	3.5606	3.5606	5.1937	6.3427		3.6407
Cl8	4.5640	2.0811	3.5606	3.5606	6.3427	5.1937	3.6407

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Al1	Cl3	Al2	88.915		Al1	Cl4	Al2	88.915
Cl3	Al1	Cl4	91.085		Cl3	Al1	Cl5	109.841
Cl3	Al1	Cl6	109.841		Cl3	Al2	Cl4	91.085
Cl3	Al2	Cl7	109.841		Cl3	Al2	Cl8	109.841
Cl4	Al1	Cl5	109.841		Cl4	Al1	Cl6	109.841
Cl4	Al2	Cl7	109.841		Cl4	Al2	Cl8	109.841
Cl5	Al1	Cl6	122.027		Cl7	Al2	Cl8	122.027