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	hartrees
Energy at 0K	-398.262644
Energy at 298.15K	-398.262392
HF Energy	-398.101323
Nuclear repulsion energy	6.335255

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.079
H2	0.000	0.000	-1.258

	S1	H2
S1		1.3363
H2	1.3363

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.143
2	H	0.143

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

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

using model chemistry: ROMP2/aug-cc-pV(T+d)Z

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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<r²>	10.244
(<r²>)^1/2	3.201