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	hartrees
Energy at 0K	-796.919689
Energy at 298.15K	-796.920567
HF Energy	-796.919689
Nuclear repulsion energy	75.991677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2425	2405	51.04
2	A'	881	874	9.16
3	A'	538	533	0.33

Atom	x (Å)	y (Å)
S1	0.041	1.048
S2	0.041	-0.967
H3	-1.296	-1.299

	S1	S2	H3
S1		2.0155	2.7009
S2	2.0155		1.3773
H3	2.7009	1.3773

Number	Element	Mulliken
1	S	-0.111
2	S	0.000
3	H	0.111

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

using model chemistry: BLYP/6-31G*

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
	-1.059	-1.405	0.000	1.760
CHELPG
AIM
ESP

	x	y	z
x	3.426	0.533	0.000
y	0.533	7.835	0.000
z	0.000	0.000	2.450

<r²>	52.785
(<r²>)^1/2	7.265

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

using model chemistry: BLYP/6-31G*

States and conformations

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