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	hartrees
Energy at 0K	-776.402905
Energy at 298.15K	-776.403269
Nuclear repulsion energy	46.600863

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.634
F2	0.000	0.000	-1.410

	Ca1	F2
Ca1		2.0440
F2	2.0440

All results from a given calculation for CaF (Calcium monofluoride)

using model chemistry: MP2/6-31G**

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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