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	hartrees
Energy at 0K	-396.743727
Energy at 298.15K
HF Energy	-396.099749
Nuclear repulsion energy	63.278638

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.273
F2	0.000	0.000	-1.608

	I1	F2
I1		1.8816
F2	1.8816

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

using model chemistry: CISD/Def2TZVPP

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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