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	hartrees
Energy at 0K	-1070.057001
Energy at 298.15K	-1070.057170
HF Energy	-1070.020558
Nuclear repulsion energy	64.438151

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.168
S2	0.000	0.000	-1.460

	Ca1	S2
Ca1		2.6279
S2	2.6279

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

using model chemistry: B2PLYP=FULL/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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