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	hartrees
Energy at 0K	-785.963032
Energy at 298.15K	-785.963962
HF Energy	-785.963032
Nuclear repulsion energy	76.484122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2729	2444	54.58
2	A'	985	882	3.99
3	A'	673	603	1.16

Atom	x (Å)	y (Å)
S1	0.041	1.046
S2	0.041	-0.970
H3	-1.324	-1.216

	S1	S2	H3
S1		2.0166	2.6424
S2	2.0166		1.3873
H3	2.6424	1.3873

Number	Element	Mulliken
1	S	-0.081
2	S	0.064
3	H	0.016

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

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

	x	y	z	Total
	-0.890	-0.927	0.000	1.286
CHELPG
AIM
ESP

	x	y	z
x	1.348	0.568	0.000
y	0.568	3.931	0.000
z	0.000	0.000	0.680

<r²>	49.807
(<r²>)^1/2	7.057

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

using model chemistry: LSDA/STO-3G

States and conformations

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