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	hartrees
Energy at 0K	-1137.423418
Energy at 298.15K
HF Energy	-1137.374995
Nuclear repulsion energy	70.168898

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.178
Cl2	0.000	0.000	-1.386

	Ca1	Cl2
Ca1		2.5641
Cl2	2.5641

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.645
2	Cl	-0.645

	x	y	z
x	15.849	0.000	0.000
y	0.000	15.849	0.000
z	0.000	0.000	12.880

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

using model chemistry: B2PLYP/6-31G*

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>	81.916
(<r²>)^1/2	9.051