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	hartrees
Energy at 0K	-4498.966018
Energy at 298.15K
HF Energy	-4498.966018
Nuclear repulsion energy	241.180711

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	-1.262
Br2	0.000	0.000	1.118

	Ga1	Br2
Ga1		2.3806
Br2	2.3806

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.364
2	Br	-0.364

	x	y	z	Total
	0.000	0.000	-2.464	2.464
CHELPG
AIM
ESP

All results from a given calculation for GaBr (Gallium monobromide)

using model chemistry: TPSSh/Def2TZVPP

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>	114.495
(<r²>)^1/2	10.700