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	hartrees
Energy at 0K	-527.571802
Energy at 298.15K
HF Energy	-526.803420
Nuclear repulsion energy	88.862738

Atom	x (Å)	y (Å)
N1	0.000	0.611
S2	-0.496	-0.887
O3	0.992	1.240

	N1	S2	O3
N1		1.5782	1.1749
S2	1.5782		2.5964
O3	1.1749	2.5964

All results from a given calculation for SNO (Nitrogen oxide sulfide)

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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