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	hartrees
Energy at 0K	-1074.450071
Energy at 298.15K
HF Energy	-1074.294587
Nuclear repulsion energy	71.330007

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.055
S2	0.000	0.000	-1.319

	Ca1	S2
Ca1		2.3740
S2	2.3740

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

using model chemistry: CISD/cc-pV(D+d)Z

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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