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	hartrees
Energy at 0K	-1597.641062
Energy at 298.15K
HF Energy	-1597.641062
Nuclear repulsion energy	172.238308

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.533
Cl3	0.000	0.000	-2.533

	Ca1	Cl2	Cl3
Ca1		2.5332	2.5332
Cl2	2.5332		5.0663
Cl3	2.5332	5.0663

Number	Element	Mulliken
1	Ca	1.140
2	Cl	-0.570
3	Cl	-0.570

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for CaCl₂ (Calcium Chloride)

using model chemistry: HSEh1PBE/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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<r²>	250.711
(<r²>)^1/2	15.834

All results from a given calculation for CaCl2 (Calcium Chloride)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for CaCl₂ (Calcium Chloride)