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	hartrees
Energy at 0K	-35.149193
Energy at 298.15K	-35.147355
HF Energy	-35.005624
Nuclear repulsion energy	12.893359

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.292
F2	0.000	0.000	-1.719

	I1	F2
I1		2.0111
F2	2.0111

All results from a given calculation for IF (Iodine monofluoride)

using model chemistry: CID/CEP-121G

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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