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	hartrees
Energy at 0K	-559.607670
Energy at 298.15K	-559.608073
HF Energy	-559.422169
Nuclear repulsion energy	36.696605

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.504
S2	0.000	0.000	1.034

	Na1	S2
Na1		2.5381
S2	2.5381

All results from a given calculation for NaS (Sodium sulfide)

using model chemistry: QCISD(TQ)/aug-cc-pVTZ

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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