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	hartrees
Energy at 0K	-99.991857
Energy at 298.15K
HF Energy	-99.893697
Nuclear repulsion energy	17.483784

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.745
O2	0.000	0.000	0.466

	B1	O2
B1		1.2107
O2	1.2107

All results from a given calculation for BO (boron monoxide)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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