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	hartrees
Energy at 0K	-795.590872
Energy at 298.15K	-795.591822
HF Energy	-795.590872
Nuclear repulsion energy	77.367279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2863	2447	7.62
2	A'	1018	870	5.85
3	A'	598	511	12.85

Atom	x (Å)	y (Å)
S1	0.040	1.038
S2	0.040	-0.962
H3	-1.267	-1.210

	S1	S2	H3
S1		1.9997	2.6000
S2	1.9997		1.3303
H3	2.6000	1.3303

Number	Element	Mulliken
1	S	-0.040
2	S	-0.035
3	H	0.075

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

using model chemistry: ROHF/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
	-1.128	-0.751	0.000	1.355
CHELPG
AIM
ESP

<r²>	51.796
(<r²>)^1/2	7.197

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

using model chemistry: ROHF/6-31G**

States and conformations

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