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	hartrees
Energy at 0K	-3246.558188
Energy at 298.15K	-3246.558682
HF Energy	-3246.558188
Nuclear repulsion energy	1137.723423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	515	492	0.00
2	A_g	335	320	0.00
3	A_g	219	209	0.00
4	A_g	94	90	0.00
5	A_u	63	60	0.00
6	B_1g	608	580	0.00
7	B_1g	119	114	0.00
8	B_1u	436	416	167.08
9	B_1u	131	126	13.93
10	B_2g	281	268	0.00
11	B_2g	172	165	0.00
12	B_2u	618	590	361.28
13	B_2u	178	170	9.13
14	B_2u	16	15	0.66
15	B_3g	118	113	0.00
16	B_3u	475	454	394.04
17	B_3u	318	304	82.98
18	B_3u	139	133	20.78

Atom	x (Å)	y (Å)	z (Å)
Al1	1.611	0.000	0.000
Al2	-1.611	0.000	0.000
Cl3	0.000	0.000	1.625
Cl4	0.000	0.000	-1.625
Cl5	2.625	1.825	0.000
Cl6	2.625	-1.825	0.000
Cl7	-2.625	1.825	0.000
Cl8	-2.625	-1.825	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.2223	2.2882	2.2882	2.0881	2.0881	4.6128	4.6128
Al2	3.2223		2.2882	2.2882	4.6128	4.6128	2.0881	2.0881
Cl3	2.2882	2.2882		3.2498	3.5866	3.5866	3.5866	3.5866
Cl4	2.2882	2.2882	3.2498		3.5866	3.5866	3.5866	3.5866
Cl5	2.0881	4.6128	3.5866	3.5866		3.6508	5.2503	6.3949
Cl6	2.0881	4.6128	3.5866	3.5866	3.6508		6.3949	5.2503
Cl7	4.6128	2.0881	3.5866	3.5866	5.2503	6.3949		3.6508
Cl8	4.6128	2.0881	3.5866	3.5866	6.3949	5.2503	3.6508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.512	Al1	Cl4	Al2	89.512
Cl3	Al1	Cl4	90.488	Cl3	Al1	Cl5	109.994
Cl3	Al1	Cl6	109.994	Cl3	Al2	Cl4	90.488
Cl3	Al2	Cl7	109.994	Cl3	Al2	Cl8	109.994
Cl4	Al1	Cl5	109.994	Cl4	Al1	Cl6	109.994
Cl4	Al2	Cl7	109.994	Cl4	Al2	Cl8	109.994
Cl5	Al1	Cl6	121.894	Cl7	Al2	Cl8	121.894

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

using model chemistry: wB97X-D/TZVP

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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Number	Element	Mulliken
1	Al	0.671
2	Al	0.671
3	Cl	-0.196
4	Cl	-0.196
5	Cl	-0.237
6	Cl	-0.237
7	Cl	-0.237
8	Cl	-0.237

<r²>	913.327
(<r²>)^1/2	30.221

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

using model chemistry: wB97X-D/TZVP

States and conformations

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