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	hartrees
Energy at 0K	-35.164137
Energy at 298.15K	-35.162273
HF Energy	-35.004503
Nuclear repulsion energy	12.743539

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.295
F2	0.000	0.000	-1.739

	I1	F2
I1		2.0341
F2	2.0341

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

using model chemistry: QCISD(T)/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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