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	hartrees
Energy at 0K	-3246.519196
Energy at 298.15K
HF Energy	-3246.519196
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	508	498	0.00
2	A_g	322	316	0.00
3	A_g	214	210	0.00
4	A_g	93	91	0.00
5	A_u	61	60	0.00
6	B_1g	602	591	0.00
7	B_1g	117	115	0.00
8	B_1u	411	403	155.35
9	B_1u	126	124	10.24
10	B_2g	259	253	0.00
11	B_2g	163	160	0.00
12	B_2u	612	600	328.38
13	B_2u	173	170	8.31
14	B_2u	4i	4i	0.57
15	B_3g	115	113	0.00
16	B_3u	469	460	372.68
17	B_3u	305	299	83.98
18	B_3u	137	134	17.21

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	1.642
Cl4	0.000	0.000	-1.642
Cl5	2.629	1.837	0.000
Cl6	2.629	-1.837	0.000
Cl7	-2.629	1.837	0.000
Cl8	-2.629	-1.837	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.2339	2.3042	2.3042	2.0974	2.0974	4.6261	4.6261
Al2	3.2339		2.3042	2.3042	4.6261	4.6261	2.0974	2.0974
Cl3	2.3042	2.3042		3.2832	3.6028	3.6028	3.6028	3.6028
Cl4	2.3042	2.3042	3.2832		3.6028	3.6028	3.6028	3.6028
Cl5	2.0974	4.6261	3.6028	3.6028		3.6745	5.2574	6.4142
Cl6	2.0974	4.6261	3.6028	3.6028	3.6745		6.4142	5.2574
Cl7	4.6261	2.0974	3.6028	3.6028	5.2574	6.4142		3.6745
Cl8	4.6261	2.0974	3.6028	3.6028	6.4142	5.2574	3.6745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.364	Al1	Cl4	Al2	89.364
Cl3	Al1	Cl4	90.636	Cl3	Al1	Cl5	110.010
Cl3	Al1	Cl6	110.010	Cl3	Al2	Cl4	90.636
Cl3	Al2	Cl7	110.010	Cl3	Al2	Cl8	110.010
Cl4	Al1	Cl5	110.010	Cl4	Al1	Cl6	110.010
Cl4	Al2	Cl7	110.010	Cl4	Al2	Cl8	110.010
Cl5	Al1	Cl6	121.762	Cl7	Al2	Cl8	121.762

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

using model chemistry: B97D3/6-31G*

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	0.548
2	Al	0.548
3	Cl	-0.165
4	Cl	-0.165
5	Cl	-0.191
6	Cl	-0.191
7	Cl	-0.191
8	Cl	-0.191

<r²>	924.261
(<r²>)^1/2	30.402

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

using model chemistry: B97D3/6-31G*

States and conformations

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