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	hartrees
Energy at 0K	-559.422068
Energy at 298.15K	-559.422098
HF Energy	-558.904331
Nuclear repulsion energy	49.800236

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	-1.063
Cl2	0.000	0.000	0.563

	F1	Cl2
F1		1.6258
Cl2	1.6258

All results from a given calculation for ClF (Chlorine monofluoride)

using model chemistry: MP3=FULL/aug-cc-pVTZ

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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