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	hartrees
Energy at 0K	-1949.044534
Energy at 298.15K	-1949.043565
HF Energy	-1949.007567
Nuclear repulsion energy	39.590315

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.784
Ga2	0.000	0.000	0.288

	B1	Ga2
B1		2.0718
Ga2	2.0718

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.210
2	Ga	0.210

	x	y	z	Total
	0.000	0.000	1.678	1.678
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/6-311G**

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>	33.425
(<r²>)^1/2	5.781