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	hartrees
Energy at 0K	-398.772115
Energy at 298.15K	-398.771864
HF Energy	-398.772115
Nuclear repulsion energy	6.254972

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.080
H2	0.000	0.000	-1.274

	S1	H2
S1		1.3536
H2	1.3536

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.085
2	H	0.085

	x	y	z	Total
	0.000	0.000	-1.026	1.026
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/6-311G**

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>	10.414
(<r²>)^1/2	3.227