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	hartrees
Energy at 0K	-396.330982
Energy at 298.15K	-396.330731
HF Energy	-396.217974
Nuclear repulsion energy	6.310812

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.079
H2	0.000	0.000	-1.263

	S1	H2
S1		1.3416
H2	1.3416

All results from a given calculation for HS (Mercapto radical)

using model chemistry: MP2=FULL/3-21G*

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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