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	hartrees
Energy at 0K	-473.764368
Energy at 298.15K
HF Energy	-473.764368
Nuclear repulsion energy	48.987039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3620	3579	81.22	100.09	0.20	0.33
2	A'	1131	1118	40.56	9.93	0.37	0.53
3	A'	810	800	54.69	13.07	0.28	0.44

Atom	x (Å)	y (Å)
S1	0.037	-0.610
O2	0.037	1.052
H3	-0.895	1.344

	S1	O2	H3
S1		1.6625	2.1653
O2	1.6625		0.9769
H3	2.1653	0.9769

Number	Element	Mulliken
1	S	0.161
2	O	-0.377
3	H	0.216

All results from a given calculation for SOH (Sulfur Hydroxide)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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
	-1.438	0.824	0.000	1.657
CHELPG
AIM
ESP

	x	y	z
x	4.098	-0.170	0.000
y	-0.170	5.075	0.000
z	0.000	0.000	3.466

<r²>	28.963
(<r²>)^1/2	5.382