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	hartrees
Energy at 0K	-124.422225
Energy at 298.15K
HF Energy	-124.136456
Nuclear repulsion energy	18.713916

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.818
F2	0.000	0.000	0.454

	B1	F2
B1		1.2725
F2	1.2725

All results from a given calculation for BF (Boron monofluoride)

using model chemistry: QCISD/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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