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	hartrees
Energy at 0K	-702.387474
Energy at 298.15K	-702.387352
HF Energy	-702.387474
Nuclear repulsion energy	54.036250

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.226
Cl2	0.000	0.000	0.938

	Al1	Cl2
Al1		2.1643
Cl2	2.1643

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.249
2	Cl	-0.249

	x	y	z	Total
	0.000	0.000	-1.516	1.516
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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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<r²>	50.240
(<r²>)^1/2	7.088