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	hartrees
Energy at 0K	-2385.246571
Energy at 298.15K
HF Energy	-2385.246571
Nuclear repulsion energy	124.218743

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.795
Cl2	0.000	0.000	-1.450

	Ga1	Cl2
Ga1		2.2450
Cl2	2.2450

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.222
2	Cl	-0.222

	x	y	z	Total
	0.000	0.000	2.693	2.693
CHELPG
AIM
ESP

All results from a given calculation for GaCl (Gallium monochloride)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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>	73.616
(<r²>)^1/2	8.580