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	hartrees
Energy at 0K	-2385.167455
Energy at 298.15K
HF Energy	-2385.167455
Nuclear repulsion energy	125.189185

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.789
Cl2	0.000	0.000	-1.439

	Ga1	Cl2
Ga1		2.2276
Cl2	2.2276

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.238
2	Cl	-0.238

	x	y	z	Total
	0.000	0.000	2.399	2.399
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/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>	72.655
(<r²>)^1/2	8.524