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	hartrees
Energy at 0K	-473.722796
Energy at 298.15K
HF Energy	-473.626236
Nuclear repulsion energy	49.042983

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'	3700	3512	84.68	95.69	0.28	0.43
2	A'	1222	1160	54.23	8.39	0.56	0.72
3	A'	842	799	47.17	20.93	0.32	0.49

Atom	x (Å)	y (Å)
S1	0.037	-0.610
O2	0.037	1.051
H3	-0.892	1.346

	S1	O2	H3
S1		1.6606	2.1648
O2	1.6606		0.9746
H3	2.1648	0.9746

Number	Element	Mulliken
1	S	0.160
2	O	-0.608
3	H	0.448

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

using model chemistry: B2PLYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	-1.729	0.608	0.000	1.833
CHELPG
AIM
ESP

	x	y	z
x	1.962	-0.277	0.000
y	-0.277	3.680	-0.000
z	0.000	-0.000	1.631

<r²>	28.659
(<r²>)^1/2	5.353