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: MP4=FULL/cc-pVTZ

States and conformations

Geometric Data calculated at MP4=FULL/cc-pVTZ

Point Group is D_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
Al1	1.583	0.000	0.000
Al2	-1.583	0.000	0.000
Cl3	0.000	0.000	1.625
Cl4	0.000	0.000	-1.625
Cl5	2.590	1.824	0.000
Cl6	2.590	-1.824	0.000
Cl7	-2.590	1.824	0.000
Cl8	-2.590	-1.824	0.000

Atom - Atom Distances (Å)

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1666	2.2685	2.2685	2.0832	2.0832	4.5542	4.5542
Al2	3.1666		2.2685	2.2685	4.5542	4.5542	2.0832	2.0832
Cl3	2.2685	2.2685		3.2492	3.5599	3.5599	3.5599	3.5599
Cl4	2.2685	2.2685	3.2492		3.5599	3.5599	3.5599	3.5599
Cl5	2.0832	4.5542	3.5599	3.5599		3.6479	5.1793	6.3350
Cl6	2.0832	4.5542	3.5599	3.5599	3.6479		6.3350	5.1793
Cl7	4.5542	2.0832	3.5599	3.5599	5.1793	6.3350		3.6479
Cl8	4.5542	2.0832	3.5599	3.5599	6.3350	5.1793	3.6479

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Al1	Cl3	Al2	88.525		Al1	Cl4	Al2	88.525
Cl3	Al1	Cl4	91.475		Cl3	Al1	Cl5	109.704
Cl3	Al1	Cl6	109.704		Cl3	Al2	Cl4	91.475
Cl3	Al2	Cl7	109.704		Cl3	Al2	Cl8	109.704
Cl4	Al1	Cl5	109.704		Cl4	Al1	Cl6	109.704
Cl4	Al2	Cl7	109.704		Cl4	Al2	Cl8	109.704
Cl5	Al1	Cl6	122.225		Cl7	Al2	Cl8	122.225