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	hartrees
Energy at 0K	-788.159935
Energy at 298.15K	-788.160874
HF Energy	-788.159935
Nuclear repulsion energy	76.282166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2908	2556	38.26
2	A'	1027	903	7.12
3	A'	675	593	6.19

Atom	x (Å)	y (Å)
S1	0.041	1.050
S2	0.041	-0.976
H3	-1.311	-1.190

	S1	S2	H3
S1		2.0261	2.6165
S2	2.0261		1.3689
H3	2.6165	1.3689

Number	Element	Mulliken
1	S	-0.050
2	S	0.055
3	H	-0.005

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

using model chemistry: mPW1PW91/STO-3G

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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	x	y	z	Total
	-0.829	-0.620	0.000	1.035
CHELPG
AIM
ESP

	x	y	z
x	1.311	0.523	0.000
y	0.523	3.921	0.000
z	0.000	0.000	0.688

<r²>	50.079
(<r²>)^1/2	7.077

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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