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	hartrees
Energy at 0K	-3243.081540
Energy at 298.15K	-3243.082173
HF Energy	-3241.469437
Nuclear repulsion energy	1146.657302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	541	514	0.00
2	A_g	348	331	0.00
3	A_g	219	208	0.00
4	A_g	95	90	0.00
5	A_u	65	62	0.00
6	B_1g	635	603	0.00
7	B_1g	118	112	0.00
8	B_1u	443	420	135.90
9	B_1u	136	129	11.89
10	B_2g	303	288	0.00
11	B_2g	169	160	0.00
12	B_2u	644	611	298.34
13	B_2u	174	165	6.65
14	B_2u	15	14	0.65
15	B_3g	118	112	0.00
16	B_3u	501	475	353.37
17	B_3u	332	315	63.58
18	B_3u	138	131	20.56

Atom	x (Å)	y (Å)	z (Å)
Al1	1.579	0.000	0.000
Al2	-1.579	0.000	0.000
Cl3	0.000	0.000	1.621
Cl4	0.000	0.000	-1.621
Cl5	2.580	1.821	0.000
Cl6	2.580	-1.821	0.000
Cl7	-2.580	1.821	0.000
Cl8	-2.580	-1.821	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1584	2.2627	2.2627	2.0783	2.0783	4.5408	4.5408
Al2	3.1584		2.2627	2.2627	4.5408	4.5408	2.0783	2.0783
Cl3	2.2627	2.2627		3.2411	3.5499	3.5499	3.5499	3.5499
Cl4	2.2627	2.2627	3.2411		3.5499	3.5499	3.5499	3.5499
Cl5	2.0783	4.5408	3.5499	3.5499		3.6423	5.1609	6.3168
Cl6	2.0783	4.5408	3.5499	3.5499	3.6423		6.3168	5.1609
Cl7	4.5408	2.0783	3.5499	3.5499	5.1609	6.3168		3.6423
Cl8	4.5408	2.0783	3.5499	3.5499	6.3168	5.1609	3.6423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	88.518	Al1	Cl4	Al2	88.518
Cl3	Al1	Cl4	91.482	Cl3	Al1	Cl5	109.648
Cl3	Al1	Cl6	109.648	Cl3	Al2	Cl4	91.482
Cl3	Al2	Cl7	109.648	Cl3	Al2	Cl8	109.648
Cl4	Al1	Cl5	109.648	Cl4	Al1	Cl6	109.648
Cl4	Al2	Cl7	109.648	Cl4	Al2	Cl8	109.648
Cl5	Al1	Cl6	122.396	Cl7	Al2	Cl8	122.396

All results from a given calculation for Al₂Cl₆ (Aluminum, di-μ-chlorotetrachlorodi-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

	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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for Al₂Cl₆ (Aluminum, di-μ-chlorotetrachlorodi-)