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	hartrees
Energy at 0K	-124.351815
Energy at 298.15K
HF Energy	-124.102592
Nuclear repulsion energy	18.528899

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.826
F2	0.000	0.000	0.459

	B1	F2
B1		1.2852
F2	1.2852

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

using model chemistry: QCISD/6-31G*

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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