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	hartrees
Energy at 0K	-6987.021855
Energy at 298.15K	-6987.020049
HF Energy	-6986.775025
Nuclear repulsion energy	128.675532

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.285
F2	0.000	0.000	-1.677

	I1	F2
I1		1.9616
F2	1.9616

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

using model chemistry: QCISD(T)/3-21G*

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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