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	hartrees
Energy at 0K	-3245.427022
Energy at 298.15K	-3245.427477
HF Energy	-3245.427022
Nuclear repulsion energy	1142.919619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	526	504	0.00
2	A_g	336	322	0.00
3	A_g	216	207	0.00
4	A_g	94	90	0.00
5	A_u	62	60	0.00
6	B_1g	616	590	0.00
7	B_1g	117	112	0.00
8	B_1u	426	408	128.97
9	B_1u	131	125	10.04
10	B_2g	281	269	0.00
11	B_2g	165	158	0.00
12	B_2u	624	598	292.26
13	B_2u	170	163	5.59
14	B_2u	17	16	0.61
15	B_3g	112	108	0.00
16	B_3u	486	466	351.35
17	B_3u	320	306	69.23
18	B_3u	138	132	17.47

Atom	x (Å)	y (Å)	z (Å)
Al1	1.592	0.000	0.000
Al2	-1.592	0.000	0.000
Cl3	0.000	0.000	1.621
Cl4	0.000	0.000	-1.621
Cl5	2.604	1.815	0.000
Cl6	2.604	-1.815	0.000
Cl7	-2.604	1.815	0.000
Cl8	-2.604	-1.815	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1842	2.2722	2.2722	2.0782	2.0782	4.5723	4.5723
Al2	3.1842		2.2722	2.2722	4.5723	4.5723	2.0782	2.0782
Cl3	2.2722	2.2722		3.2423	3.5645	3.5645	3.5645	3.5645
Cl4	2.2722	2.2722	3.2423		3.5645	3.5645	3.5645	3.5645
Cl5	2.0782	4.5723	3.5645	3.5645		3.6299	5.2090	6.3490
Cl6	2.0782	4.5723	3.5645	3.5645	3.6299		6.3490	5.2090
Cl7	4.5723	2.0782	3.5645	3.5645	5.2090	6.3490		3.6299
Cl8	4.5723	2.0782	3.5645	3.5645	6.3490	5.2090	3.6299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	88.964	Al1	Cl4	Al2	88.964
Cl3	Al1	Cl4	91.036	Cl3	Al1	Cl5	109.958
Cl3	Al1	Cl6	109.958	Cl3	Al2	Cl4	91.036
Cl3	Al2	Cl7	109.958	Cl3	Al2	Cl8	109.958
Cl4	Al1	Cl5	109.958	Cl4	Al1	Cl6	109.958
Cl4	Al2	Cl7	109.958	Cl4	Al2	Cl8	109.958
Cl5	Al1	Cl6	121.695	Cl7	Al2	Cl8	121.695

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.399
2	Al	0.399
3	Cl	-0.025
4	Cl	-0.025
5	Cl	-0.187
6	Cl	-0.187
7	Cl	-0.187
8	Cl	-0.187

<r²>	904.459
(<r²>)^1/2	30.074

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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