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	hartrees
Energy at 0K	-1137.913291
Energy at 298.15K	-1137.913538
HF Energy	-1137.913291
Nuclear repulsion energy	73.578654

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.124
Cl2	0.000	0.000	-1.322

	Ca1	Cl2
Ca1		2.4453
Cl2	2.4453

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.622
2	Cl	-0.622

	x	y	z	Total
	0.000	0.000	4.451	4.451
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-311G**

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>	76.225
(<r²>)^1/2	8.731