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	hartrees
Energy at 0K	-1074.461122
Energy at 298.15K	-1074.461379
HF Energy	-1074.295285
Nuclear repulsion energy	71.251042

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.056
S2	0.000	0.000	-1.320

	Ca1	S2
Ca1		2.3766
S2	2.3766

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

using model chemistry: CCSD/cc-pCVDZ

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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