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	hartrees
Energy at 0K	-1136.452878
Energy at 298.15K	-1136.453106
HF Energy	-1136.279790
Nuclear repulsion energy	69.984634

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.179
Cl2	0.000	0.000	-1.387

	Ca1	Cl2
Ca1		2.5662
Cl2	2.5662

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

using model chemistry: MP3=FULL/6-31+G**

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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