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	hartrees
Energy at 0K	-398.596259
Energy at 298.15K	-398.596008
HF Energy	-398.550328
Nuclear repulsion energy	6.298477

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.079
H2	0.000	0.000	-1.266

	S1	H2
S1		1.3449
H2	1.3449

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.183
2	H	0.183

	x	y	z	Total
	0.000	0.000	-0.929	0.929
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/6-31G(2df,p)

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>	10.126
(<r²>)^1/2	3.182