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	hartrees
Energy at 0K	-1947.606015
Energy at 298.15K	-1947.605075
HF Energy	-1947.606015
Nuclear repulsion energy	40.244588

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.755
Ga2	0.000	0.000	0.283

	B1	Ga2
B1		2.0381
Ga2	2.0381

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.070
2	Ga	-0.070

	x	y	z	Total
	0.000	0.000	1.230	1.230
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/6-31G**

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>	32.428
(<r²>)^1/2	5.695