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	hartrees
Energy at 0K	-1131.965592
Energy at 298.15K	-1131.965776
HF Energy	-1131.965592
Nuclear repulsion energy	67.465636

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.225
Cl2	0.000	0.000	-1.442

	Ca1	Cl2
Ca1		2.6668
Cl2	2.6668

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.714
2	Cl	-0.714

	x	y	z	Total
	0.000	0.000	6.312	6.312
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/3-21G

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>	87.322
(<r²>)^1/2	9.345