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	hartrees
Energy at 0K	-527.573030
Energy at 298.15K
HF Energy	-526.827415
Nuclear repulsion energy	97.676030

Atom	x (Å)	y (Å)
S1	0.000	0.347
N2	1.374	-0.271
O3	-1.202	-0.457

	S1	N2	O3
S1		1.5062	1.4458
N2	1.5062		2.5823
O3	1.4458	2.5823

All results from a given calculation for NSO (sulfinyl amidogen)

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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