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	hartrees
Energy at 0K	-776.306287
Energy at 298.15K	-776.306603
Nuclear repulsion energy	44.986508

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.657
F2	0.000	0.000	-1.460

	Ca1	F2
Ca1		2.1173
F2	2.1173

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

using model chemistry: MP2=FULL/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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