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	hartrees
Energy at 0K	-1949.613876
Energy at 298.15K	-1949.612917
HF Energy	-1949.613876
Nuclear repulsion energy	40.132930

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.760
Ga2	0.000	0.000	0.284

	B1	Ga2
B1		2.0438
Ga2	2.0438

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.048
2	Ga	0.048

	x	y	z	Total
	0.000	0.000	1.700	1.700
CHELPG
AIM
ESP

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

using model chemistry: wB97X-D/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>	32.643
(<r²>)^1/2	5.713