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	hartrees
Energy at 0K	-25.275504
Energy at 298.15K
HF Energy	-25.130280
Nuclear repulsion energy	2.147297

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.205
H2	0.000	0.000	-1.027

	B1	H2
B1		1.2322
H2	1.2322

All results from a given calculation for BH (Boron monohydride)

using model chemistry: CCSD=FULL/aug-cc-pCVTZ

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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