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	hartrees
Energy at 0K	-1949.155700
Energy at 298.15K	-1949.154738
HF Energy	-1949.087264
Nuclear repulsion energy	39.845226

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.773
Ga2	0.000	0.000	0.286

	B1	Ga2
B1		2.0585
Ga2	2.0585

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.005
2	Ga	0.005

	x	y	z	Total
	0.000	0.000	1.723	1.723
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/aug-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>	33.180
(<r²>)^1/2	5.760