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	hartrees
Energy at 0K	-3242.415635
Energy at 298.15K	-3242.416042
HF Energy	-3241.354434
Nuclear repulsion energy	1127.804128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	520	504	0.00
2	A_g	332	322	0.00
3	A_g	216	209	0.00
4	A_g	91	88	0.00
5	A_u	61	59	0.00
6	B_1g	615	597	0.00
7	B_1g	111	107	0.00
8	B_1u	423	410	134.73
9	B_1u	131	127	12.33
10	B_2g	284	275	0.00
11	B_2g	157	152	0.00
12	B_2u	624	604	300.32
13	B_2u	163	158	7.44
14	B_2u	14	13	0.55
15	B_3g	111	108	0.00
16	B_3u	479	464	357.59
17	B_3u	319	309	66.16
18	B_3u	134	130	21.04

Atom	x (Å)	y (Å)	z (Å)
Al1	1.620	0.000	0.000
Al2	-1.620	0.000	0.000
Cl3	0.000	0.000	1.639
Cl4	0.000	0.000	-1.639
Cl5	2.617	1.860	0.000
Cl6	2.617	-1.860	0.000
Cl7	-2.617	1.860	0.000
Cl8	-2.617	-1.860	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.2391	2.3039	2.3039	2.1104	2.1104	4.6269	4.6269
Al2	3.2391		2.3039	2.3039	4.6269	4.6269	2.1104	2.1104
Cl3	2.3039	2.3039		3.2771	3.6046	3.6046	3.6046	3.6046
Cl4	2.3039	2.3039	3.2771		3.6046	3.6046	3.6046	3.6046
Cl5	2.1104	4.6269	3.6046	3.6046		3.7195	5.2343	6.4212
Cl6	2.1104	4.6269	3.6046	3.6046	3.7195		6.4212	5.2343
Cl7	4.6269	2.1104	3.6046	3.6046	5.2343	6.4212		3.7195
Cl8	4.6269	2.1104	3.6046	3.6046	6.4212	5.2343	3.7195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.332	Al1	Cl4	Al2	89.332
Cl3	Al1	Cl4	90.668	Cl3	Al1	Cl5	109.408
Cl3	Al1	Cl6	109.408	Cl3	Al2	Cl4	90.668
Cl3	Al2	Cl7	109.408	Cl3	Al2	Cl8	109.408
Cl4	Al1	Cl5	109.408	Cl4	Al1	Cl6	109.408
Cl4	Al2	Cl7	109.408	Cl4	Al2	Cl8	109.408
Cl5	Al1	Cl6	123.581	Cl7	Al2	Cl8	123.581

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

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