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	hartrees
Energy at 0K	-1948.109212
Energy at 298.15K	-1948.108283
HF Energy	-1947.829224
Nuclear repulsion energy	40.634781

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.738
Ga2	0.000	0.000	0.280

	B1	Ga2
B1		2.0185
Ga2	2.0185

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

using model chemistry: QCISD(T)=FULL/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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