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	hartrees
Energy at 0K	-3242.882875
Energy at 298.15K	-3242.883900
HF Energy	-3241.482196
Nuclear repulsion energy	1141.355456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	532	532	0.00
2	A_g	342	342	0.00
3	A_g	220	220	0.00
4	A_g	96	96	0.00
5	A_u	63	63	0.00
6	B_1g	620	620	0.00
7	B_1g	118	118	0.00
8	B_1u	431	431	134.18
9	B_1u	133	133	11.73
10	B_2g	287	287	0.00
11	B_2g	168	168	0.00
12	B_2u	629	629	307.71
13	B_2u	173	173	6.45
14	B_2u	18	18	0.70
15	B_3g	115	115	0.00
16	B_3u	491	491	358.60
17	B_3u	325	325	68.62
18	B_3u	140	140	20.01

Atom	x (Å)	y (Å)	z (Å)
Al1	1.596	0.000	0.000
Al2	-1.596	0.000	0.000
Cl3	0.000	0.000	1.619
Cl4	0.000	0.000	-1.619
Cl5	2.608	1.820	0.000
Cl6	2.608	-1.820	0.000
Cl7	-2.608	1.820	0.000
Cl8	-2.608	-1.820	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1928	2.2740	2.2740	2.0820	2.0820	4.5813	4.5813
Al2	3.1928		2.2740	2.2740	4.5813	4.5813	2.0820	2.0820
Cl3	2.2740	2.2740		3.2387	3.5686	3.5686	3.5686	3.5686
Cl4	2.2740	2.2740	3.2387		3.5686	3.5686	3.5686	3.5686
Cl5	2.0820	4.5813	3.5686	3.5686		3.6395	5.2158	6.3601
Cl6	2.0820	4.5813	3.5686	3.5686	3.6395		6.3601	5.2158
Cl7	4.5813	2.0820	3.5686	3.5686	5.2158	6.3601		3.6395
Cl8	4.5813	2.0820	3.5686	3.5686	6.3601	5.2158	3.6395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.183	Al1	Cl4	Al2	89.183
Cl3	Al1	Cl4	90.817	Cl3	Al1	Cl5	109.943
Cl3	Al1	Cl6	109.943	Cl3	Al2	Cl4	90.817
Cl3	Al2	Cl7	109.943	Cl3	Al2	Cl8	109.943
Cl4	Al1	Cl5	109.943	Cl4	Al1	Cl6	109.943
Cl4	Al2	Cl7	109.943	Cl4	Al2	Cl8	109.943
Cl5	Al1	Cl6	121.866	Cl7	Al2	Cl8	121.866

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

using model chemistry: MP3/aug-cc-pV(T+d)Z

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: MP3/aug-cc-pV(T+d)Z

States and conformations

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