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	hartrees
Energy at 0K	-394.518501
Energy at 298.15K
HF Energy	-394.093162
Nuclear repulsion energy	62.626334

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.276
F2	0.000	0.000	-1.625

	I1	F2
I1		1.9012
F2	1.9012

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

using model chemistry: CISD/cc-pVTZ-PP

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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