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	hartrees
Energy at 0K	-794.904670
Energy at 298.15K	-794.905578
HF Energy	-794.904670
Nuclear repulsion energy	77.609101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2454	2423	16.38
2	A'	870	859	7.81
3	A'	576	569	0.53

Atom	x (Å)	y (Å)
S1	0.041	1.032
S2	0.041	-0.953
H3	-1.301	-1.261

	S1	S2	H3
S1		1.9842	2.6564
S2	1.9842		1.3769
H3	2.6564	1.3769

Number	Element	Mulliken
1	S	-0.159
2	S	0.036
3	H	0.122

All results from a given calculation for HS₂ (Thiosulfeno radical)

using model chemistry: LSDA/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.197	-1.658	0.000	2.045
CHELPG
AIM
ESP

	x	y	z
x	3.695	0.430	0.000
y	0.430	7.970	0.000
z	0.000	0.000	2.500

<r²>	51.589
(<r²>)^1/2	7.183

All results from a given calculation for HS2 (Thiosulfeno radical)

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

States and conformations

All results from a given calculation for HS₂ (Thiosulfeno radical)