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	hartrees
Energy at 0K	-474.030373
Energy at 298.15K
HF Energy	-474.030373
Nuclear repulsion energy	49.879997

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'	3801	3643	104.21	91.33	0.19	0.32
2	A'	1173	1125	49.64	6.77	0.37	0.54
3	A'	879	842	73.92	12.64	0.32	0.49

Atom	x (Å)	y (Å)
S1	0.036	-0.599
O2	0.036	1.031
H3	-0.875	1.341

	S1	O2	H3
S1		1.6309	2.1436
O2	1.6309		0.9625
H3	2.1436	0.9625

Number	Element	Mulliken
1	S	0.148
2	O	-0.379
3	H	0.232

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

using model chemistry: B1B95/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
	-1.462	0.758	0.000	1.647
CHELPG
AIM
ESP

	x	y	z
x	3.854	-0.162	0.000
y	-0.162	4.750	0.000
z	0.000	0.000	3.300

<r²>	28.220
(<r²>)^1/2	5.312