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	hartrees
Energy at 0K	-768.004015
Energy at 298.15K	-768.003666
Nuclear repulsion energy	23.352209

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.266
F2	0.000	0.000	-2.813

	Ca1	F2
Ca1		4.0789
F2	4.0789

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

using model chemistry: CCD/STO-3G

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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