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	hartrees
Energy at 0K	-776.563440
Energy at 298.15K	-776.563818
Nuclear repulsion energy	47.737193

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.619
F2	0.000	0.000	-1.376

	Ca1	F2
Ca1		1.9952
F2	1.9952

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

using model chemistry: QCISD(T)/6-31G(2df,p)

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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