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	hartrees
Energy at 0K	-1136.692637
Energy at 298.15K	-1136.692878
HF Energy	-1136.344580
Nuclear repulsion energy	72.360174

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.142
Cl2	0.000	0.000	-1.344

	Ca1	Cl2
Ca1		2.4865
Cl2	2.4865

All results from a given calculation for CaCl (calcium monochloride)

using model chemistry: CCD/6-311G**

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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