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	hartrees
Energy at 0K	-527.259051
Energy at 298.15K
HF Energy	-526.737418
Nuclear repulsion energy	87.162248

Atom	x (Å)	y (Å)
N1	0.000	0.628
S2	-0.540	-0.873
O3	1.081	1.197

	N1	S2	O3
N1		1.5957	1.2214
S2	1.5957		2.6297
O3	1.2214	2.6297

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

using model chemistry: MP2/daug-cc-pVDZ

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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