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	hartrees
Energy at 0K	-1136.344602
Energy at 298.15K	-1136.344830
HF Energy	-1136.344602
Nuclear repulsion energy	71.403533

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.158
Cl2	0.000	0.000	-1.362

	Ca1	Cl2
Ca1		2.5198
Cl2	2.5198

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.735
2	Cl	-0.735

	x	y	z	Total
	0.000	0.000	4.903	4.903
CHELPG
AIM
ESP

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

using model chemistry: ROHF/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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<r²>	80.704
(<r²>)^1/2	8.984