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	hartrees
Energy at 0K	-3246.528372
Energy at 298.15K	-3246.528866
HF Energy	-3246.528372
Nuclear repulsion energy	1140.599142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	528	502	0.00
2	A_g	339	323	0.00
3	A_g	217	207	0.00
4	A_g	95	90	0.00
5	A_u	64	61	0.00
6	B_1g	617	588	0.00
7	B_1g	118	112	0.00
8	B_1u	431	410	155.80
9	B_1u	131	125	12.38
10	B_2g	283	269	0.00
11	B_2g	168	160	0.00
12	B_2u	627	597	336.32
13	B_2u	176	167	8.25
14	B_2u	17	16	0.66
15	B_3g	116	111	0.00
16	B_3u	488	465	386.94
17	B_3u	320	305	74.91
18	B_3u	140	133	19.04

Atom	x (Å)	y (Å)	z (Å)
Al1	1.598	0.000	0.000
Al2	-1.598	0.000	0.000
Cl3	0.000	0.000	1.621
Cl4	0.000	0.000	-1.621
Cl5	2.611	1.819	0.000
Cl6	2.611	-1.819	0.000
Cl7	-2.611	1.819	0.000
Cl8	-2.611	-1.819	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.1964	2.2762	2.2762	2.0822	2.0822	4.5857	4.5857
Al2	3.1964		2.2762	2.2762	4.5857	4.5857	2.0822	2.0822
Cl3	2.2762	2.2762		3.2417	3.5714	3.5714	3.5714	3.5714
Cl4	2.2762	2.2762	3.2417		3.5714	3.5714	3.5714	3.5714
Cl5	2.0822	4.5857	3.5714	3.5714		3.6382	5.2226	6.3649
Cl6	2.0822	4.5857	3.5714	3.5714	3.6382		6.3649	5.2226
Cl7	4.5857	2.0822	3.5714	3.5714	5.2226	6.3649		3.6382
Cl8	4.5857	2.0822	3.5714	3.5714	6.3649	5.2226	3.6382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	89.194	Al1	Cl4	Al2	89.194
Cl3	Al1	Cl4	90.806	Cl3	Al1	Cl5	109.976
Cl3	Al1	Cl6	109.976	Cl3	Al2	Cl4	90.806
Cl3	Al2	Cl7	109.976	Cl3	Al2	Cl8	109.976
Cl4	Al1	Cl5	109.976	Cl4	Al1	Cl6	109.976
Cl4	Al2	Cl7	109.976	Cl4	Al2	Cl8	109.976
Cl5	Al1	Cl6	121.771	Cl7	Al2	Cl8	121.771

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

using model chemistry: mPW1PW91/6-31+G**

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	0.372
2	Al	0.372
3	Cl	-0.085
4	Cl	-0.085
5	Cl	-0.144
6	Cl	-0.144
7	Cl	-0.144
8	Cl	-0.144

<r²>	910.040
(<r²>)^1/2	30.167

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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