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	hartrees
Energy at 0K	-1136.438805
Energy at 298.15K	-1136.439037
HF Energy	-1136.277712
Nuclear repulsion energy	70.079407

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.180
Cl2	0.000	0.000	-1.388

	Ca1	Cl2
Ca1		2.5674
Cl2	2.5674

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

using model chemistry: CCD/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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