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	hartrees
Energy at 0K	-259.702294
Energy at 298.15K	-259.701336
HF Energy	-259.702294
Nuclear repulsion energy	16.270772

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.764
Ga2	0.000	0.000	0.285

	B1	Ga2
B1		2.0490
Ga2	2.0490

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.282
2	Ga	0.282

	x	y	z	Total
	0.000	0.000	2.393	2.393
CHELPG
AIM
ESP

All results from a given calculation for BGa (Boron Gallium)

using model chemistry: HF/CEP-31G

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>	26.181
(<r²>)^1/2	5.117