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	hartrees
Energy at 0K	-396.882644
Energy at 298.15K	-396.882392
HF Energy	-396.882644
Nuclear repulsion energy	6.280834

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.079
H2	0.000	0.000	-1.269

	S1	H2
S1		1.3480
H2	1.3480

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.137
2	H	0.137

	x	y	z	Total
	0.000	0.000	-1.106	1.106
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/3-21G*

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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<r²>	10.132
(<r²>)^1/2	3.183