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	hartrees
Energy at 0K	-1947.012880
Energy at 298.15K	-1947.011943
HF Energy	-1947.012880
Nuclear repulsion energy	41.000585

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.723
Ga2	0.000	0.000	0.278

	B1	Ga2
B1		2.0005
Ga2	2.0005

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.129
2	Ga	-0.129

	x	y	z	Total
	0.000	0.000	1.563	1.563
CHELPG
AIM
ESP

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

using model chemistry: LSDA/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>	31.841
(<r²>)^1/2	5.643