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(T)=FULL/aug-cc-pVDZ

States and conformations

Geometric Data calculated at CCSD(T)=FULL/aug-cc-pVDZ

Point Group is D_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
Al1	1.626	0.000	0.000
Al2	-1.626	0.000	0.000
Cl3	0.000	0.000	1.642
Cl4	0.000	0.000	-1.642
Cl5	2.629	1.863	0.000
Cl6	2.629	-1.863	0.000
Cl7	-2.629	1.863	0.000
Cl8	-2.629	-1.863	0.000

Atom - Atom Distances (Å)

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.2513	2.3103	2.3103	2.1157	2.1157	4.6447	4.6447
Al2	3.2513		2.3103	2.3103	4.6447	4.6447	2.1157	2.1157
Cl3	2.3103	2.3103		3.2831	3.6162	3.6162	3.6162	3.6162
Cl4	2.3103	2.3103	3.2831		3.6162	3.6162	3.6162	3.6162
Cl5	2.1157	4.6447	3.6162	3.6162		3.7251	5.2586	6.4443
Cl6	2.1157	4.6447	3.6162	3.6162	3.7251		6.4443	5.2586
Cl7	4.6447	2.1157	3.6162	3.6162	5.2586	6.4443		3.7251
Cl8	4.6447	2.1157	3.6162	3.6162	6.4443	5.2586	3.7251

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.443		Al1	Cl4	Al2	89.443
Cl3	Al1	Cl4	90.557		Cl3	Al1	Cl5	109.499
Cl3	Al1	Cl6	109.499		Cl3	Al2	Cl4	90.557
Cl3	Al2	Cl7	109.499		Cl3	Al2	Cl8	109.499
Cl4	Al1	Cl5	109.499		Cl4	Al1	Cl6	109.499
Cl4	Al2	Cl7	109.499		Cl4	Al2	Cl8	109.499
Cl5	Al1	Cl6	123.363		Cl7	Al2	Cl8	123.363