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	hartrees
Energy at 0K	-3244.802151
Energy at 298.15K	-3244.801920
HF Energy	-3244.802151
Nuclear repulsion energy	1081.599799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	471	465	0.00
2	A_g	288	284	0.00
3	A_g	190	188	0.00
4	A_g	82	81	0.00
5	A_u	50	50	0.00
6	B_1g	563	555	0.00
7	B_1g	99	98	0.00
8	B_1u	356	351	131.02
9	B_1u	110	109	12.47
10	B_2g	229	225	0.00
11	B_2g	141	139	0.00
12	B_2u	573	565	241.19
13	B_2u	153	151	15.00
14	B_2u	19	18	0.35
15	B_3g	95	94	0.00
16	B_3u	434	428	345.11
17	B_3u	272	268	91.26
18	B_3u	121	119	20.89

Atom	x (Å)	y (Å)	z (Å)
Al1	1.740	0.000	0.000
Al2	-1.740	0.000	0.000
Cl3	0.000	0.000	1.666
Cl4	0.000	0.000	-1.666
Cl5	2.776	1.914	0.000
Cl6	2.776	-1.914	0.000
Cl7	-2.776	1.914	0.000
Cl8	-2.776	-1.914	0.000

	Al1	Al2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
Al1		3.4803	2.4093	2.4093	2.1767	2.1767	4.9052	4.9052
Al2	3.4803		2.4093	2.4093	4.9052	4.9052	2.1767	2.1767
Cl3	2.4093	2.4093		3.3328	3.7614	3.7614	3.7614	3.7614
Cl4	2.4093	2.4093	3.3328		3.7614	3.7614	3.7614	3.7614
Cl5	2.1767	4.9052	3.7614	3.7614		3.8289	5.5521	6.7444
Cl6	2.1767	4.9052	3.7614	3.7614	3.8289		6.7444	5.5521
Cl7	4.9052	2.1767	3.7614	3.7614	5.5521	6.7444		3.8289
Cl8	4.9052	2.1767	3.7614	3.7614	6.7444	5.5521	3.8289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	Cl3	Al2	92.480	Al1	Cl4	Al2	92.480
Cl3	Al1	Cl4	87.520	Cl3	Al1	Cl5	110.104
Cl3	Al1	Cl6	110.104	Cl3	Al2	Cl4	87.520
Cl3	Al2	Cl7	110.104	Cl3	Al2	Cl8	110.104
Cl4	Al1	Cl5	110.104	Cl4	Al1	Cl6	110.104
Cl4	Al2	Cl7	110.104	Cl4	Al2	Cl8	110.104
Cl5	Al1	Cl6	123.163	Cl7	Al2	Cl8	123.163

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

using model chemistry: PBEPBE/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	0.725
2	Al	0.725
3	Cl	-0.263
4	Cl	-0.263
5	Cl	-0.231
6	Cl	-0.231
7	Cl	-0.231
8	Cl	-0.231

<r²>	1015.655
(<r²>)^1/2	31.869