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	hartrees
Energy at 0K	-3246.503237
Energy at 298.15K	-3246.503634
HF Energy	-3246.503237
Nuclear repulsion energy	1132.333860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	517	496	0.00
2	A_g	330	317	0.00
3	A_g	218	209	0.00
4	A_g	96	92	0.00
5	A_u	63	61	0.00
6	B_1g	608	584	0.00
7	B_1g	120	115	0.00
8	B_1u	418	402	160.84
9	B_1u	130	124	10.87
10	B_2g	266	256	0.00
11	B_2g	168	161	0.00
12	B_2u	617	593	332.94
13	B_2u	177	170	8.81
14	B_2u	21	20	0.66
15	B_3g	117	112	0.00
16	B_3u	478	459	386.76
17	B_3u	312	299	81.69
18	B_3u	141	135	17.61

Atom	x (Å)	y (Å)	z (Å)
Al1	1.617	0.000	0.000
Al2	-1.617	0.000	0.000
Cl3	0.000	0.000	1.628
Cl4	0.000	0.000	-1.628
Cl5	2.639	1.827	0.000
Cl6	2.639	-1.827	0.000
Cl7	-2.639	1.827	0.000
Cl8	-2.639	-1.827	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.2350	2.2949	2.2949	2.0926	2.0926	4.6315	4.6315
Al2	3.2350		2.2949	2.2949	4.6315	4.6315	2.0926	2.0926
Cl3	2.2949	2.2949		3.2560	3.5985	3.5985	3.5985	3.5985
Cl4	2.2949	2.2949	3.2560		3.5985	3.5985	3.5985	3.5985
Cl5	2.0926	4.6315	3.5985	3.5985		3.6531	5.2772	6.4183
Cl6	2.0926	4.6315	3.5985	3.5985	3.6531		6.4183	5.2772
Cl7	4.6315	2.0926	3.5985	3.5985	5.2772	6.4183		3.6531
Cl8	4.6315	2.0926	3.5985	3.5985	6.4183	5.2772	3.6531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.629	Al1	Cl4	Al2	89.629
Cl3	Al1	Cl4	90.371	Cl3	Al1	Cl5	110.116
Cl3	Al1	Cl6	110.116	Cl3	Al2	Cl4	90.371
Cl3	Al2	Cl7	110.116	Cl3	Al2	Cl8	110.116
Cl4	Al1	Cl5	110.116	Cl4	Al1	Cl6	110.116
Cl4	Al2	Cl7	110.116	Cl4	Al2	Cl8	110.116
Cl5	Al1	Cl6	121.586	Cl7	Al2	Cl8	121.586

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

using model chemistry: B3LYP/6-31G*

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	0.535
2	Al	0.535
3	Cl	-0.158
4	Cl	-0.158
5	Cl	-0.189
6	Cl	-0.189
7	Cl	-0.189
8	Cl	-0.189

<r²>	924.185
(<r²>)^1/2	30.400

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

using model chemistry: B3LYP/6-31G*

States and conformations

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