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	hartrees
Energy at 0K	-472.920390
Energy at 298.15K
HF Energy	-472.346584
Nuclear repulsion energy	44.201146

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.511
O2	0.000	0.000	-1.022

	S1	O2
S1		1.5323
O2	1.5323

All results from a given calculation for SO (Sulfur monoxide)

using model chemistry: QCISD(T)=FULL/cc-pCVDZ

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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