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	hartrees
Energy at 0K	-1939.601856
Energy at 298.15K	-1939.600879
HF Energy	-1939.601856
Nuclear repulsion energy	40.618482

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.739
Ga2	0.000	0.000	0.280

	B1	Ga2
B1		2.0193
Ga2	2.0193

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.324
2	Ga	0.324

	x	y	z	Total
	0.000	0.000	1.685	1.685
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/3-21G

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>	32.624
(<r²>)^1/2	5.712