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	hartrees
Energy at 0K	-694.490498
Energy at 298.15K	-694.490398
HF Energy	-694.490498
Nuclear repulsion energy	54.168270

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.223
Cl2	0.000	0.000	0.936

	Al1	Cl2
Al1		2.1590
Cl2	2.1590

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.532
2	Cl	-0.532

	x	y	z	Total
	0.000	0.000	-4.030	4.030
CHELPG
AIM
ESP

All results from a given calculation for AlCl (Aluminum monochloride)

using model chemistry: PBE1PBE/STO-3G

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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<r²>	47.032
(<r²>)^1/2	6.858