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	hartrees
Energy at 0K	-2385.086741
Energy at 298.15K
HF Energy	-2385.086741
Nuclear repulsion energy	123.705966

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.798
Cl2	0.000	0.000	-1.456

	Ga1	Cl2
Ga1		2.2543
Cl2	2.2543

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.432
2	Cl	-0.432

	x	y	z	Total
	0.000	0.000	2.632	2.632
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/aug-cc-pVDZ

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>	73.990
(<r²>)^1/2	8.602