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	hartrees
Energy at 0K	-1075.929532
Energy at 298.15K	-1075.929819
HF Energy	-1075.929532
Nuclear repulsion energy	73.454405

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.025
S2	0.000	0.000	-1.281

	Ca1	S2
Ca1		2.3053
S2	2.3053

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.904
2	S	-0.904

	x	y	z	Total
	0.000	0.000	11.005	11.005
CHELPG
AIM
ESP

All results from a given calculation for CaS (Calcium sulfide)

using model chemistry: B1B95/6-311G*

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>	65.659
(<r²>)^1/2	8.103