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	hartrees
Energy at 0K	-3225.754178
Energy at 298.15K	-3225.754397
HF Energy	-3225.435275
Nuclear repulsion energy	1085.225274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	501	472	0.00
2	A_g	319	300	0.00
3	A_g	219	206	0.00
4	A_g	92	87	0.00
5	A_u	62	58	0.00
6	B_1g	606	571	0.00
7	B_1g	103	97	0.00
8	B_1u	369	347	199.60
9	B_1u	123	116	21.73
10	B_2g	241	227	0.00
11	B_2g	153	144	0.00
12	B_2u	618	582	284.53
13	B_2u	172	162	25.78
14	B_2u	24	22	0.59
15	B_3g	120	113	0.00
16	B_3u	461	434	394.99
17	B_3u	301	283	115.89
18	B_3u	132	124	35.46

Atom	x (Å)	y (Å)	z (Å)
Al1	1.760	0.000	0.000
Al2	-1.760	0.000	0.000
Cl3	0.000	0.000	1.627
Cl4	0.000	0.000	-1.627
Cl5	2.769	1.922	0.000
Cl6	2.769	-1.922	0.000
Cl7	-2.769	1.922	0.000
Cl8	-2.769	-1.922	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.5203	2.3966	2.3966	2.1709	2.1709	4.9200	4.9200
Al2	3.5203		2.3966	2.3966	4.9200	4.9200	2.1709	2.1709
Cl3	2.3966	2.3966		3.2531	3.7426	3.7426	3.7426	3.7426
Cl4	2.3966	2.3966	3.2531		3.7426	3.7426	3.7426	3.7426
Cl5	2.1709	4.9200	3.7426	3.7426		3.8447	5.5376	6.7414
Cl6	2.1709	4.9200	3.7426	3.7426	3.8447		6.7414	5.5376
Cl7	4.9200	2.1709	3.7426	3.7426	5.5376	6.7414		3.8447
Cl8	4.9200	2.1709	3.7426	3.7426	6.7414	5.5376	3.8447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	94.519	Al1	Cl4	Al2	94.519
Cl3	Al1	Cl4	85.481	Cl3	Al1	Cl5	109.951
Cl3	Al1	Cl6	109.951	Cl3	Al2	Cl4	85.481
Cl3	Al2	Cl7	109.951	Cl3	Al2	Cl8	109.951
Cl4	Al1	Cl5	109.951	Cl4	Al1	Cl6	109.951
Cl4	Al2	Cl7	109.951	Cl4	Al2	Cl8	109.951
Cl5	Al1	Cl6	124.630	Cl7	Al2	Cl8	124.630

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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