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	hartrees
Energy at 0K	-3231.223937
Energy at 298.15K	-3231.224638
HF Energy	-3231.223937
Nuclear repulsion energy	1150.688931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	547	518	0.00
2	A_g	359	340	0.00
3	A_g	217	206	0.00
4	A_g	94	89	0.00
5	A_u	71	67	0.00
6	B_1g	658	623	0.00
7	B_1g	119	113	0.00
8	B_1u	453	429	174.84
9	B_1u	137	129	13.76
10	B_2g	298	282	0.00
11	B_2g	167	158	0.00
12	B_2u	668	633	358.03
13	B_2u	177	167	10.31
14	B_2u	26	25	0.40
15	B_3g	124	118	0.00
16	B_3u	509	483	390.13
17	B_3u	335	318	88.43
18	B_3u	146	139	19.14

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	1.614
Cl4	0.000	0.000	-1.614
Cl5	2.566	1.819	0.000
Cl6	2.566	-1.819	0.000
Cl7	-2.566	1.819	0.000
Cl8	-2.566	-1.819	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1583	2.2578	2.2578	2.0694	2.0694	4.5266	4.5266
Al2	3.1583		2.2578	2.2578	4.5266	4.5266	2.0694	2.0694
Cl3	2.2578	2.2578		3.2272	3.5350	3.5350	3.5350	3.5350
Cl4	2.2578	2.2578	3.2272		3.5350	3.5350	3.5350	3.5350
Cl5	2.0694	4.5266	3.5350	3.5350		3.6380	5.1318	6.2905
Cl6	2.0694	4.5266	3.5350	3.5350	3.6380		6.2905	5.1318
Cl7	4.5266	2.0694	3.5350	3.5350	5.1318	6.2905		3.6380
Cl8	4.5266	2.0694	3.5350	3.5350	6.2905	5.1318	3.6380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	88.764	Al1	Cl4	Al2	88.764
Cl3	Al1	Cl4	91.236	Cl3	Al1	Cl5	109.482
Cl3	Al1	Cl6	109.482	Cl3	Al2	Cl4	91.236
Cl3	Al2	Cl7	109.482	Cl3	Al2	Cl8	109.482
Cl4	Al1	Cl5	109.482	Cl4	Al1	Cl6	109.482
Cl4	Al2	Cl7	109.482	Cl4	Al2	Cl8	109.482
Cl5	Al1	Cl6	123.045	Cl7	Al2	Cl8	123.045

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	Al	0.744
2	Al	0.744
3	Cl	-0.239
4	Cl	-0.239
5	Cl	-0.253
6	Cl	-0.253
7	Cl	-0.253
8	Cl	-0.253

<r²>	891.897
(<r²>)^1/2	29.865

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

using model chemistry: M06-2X/3-21G*

States and conformations

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