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	hartrees
Energy at 0K	-473.945706
Energy at 298.15K
HF Energy	-473.945706
Nuclear repulsion energy	49.628732

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'	3772	3640	97.67	91.51	0.19	0.32
2	A'	1174	1133	47.86	7.05	0.37	0.54
3	A'	859	829	70.22	12.67	0.31	0.48

Atom	x (Å)	y (Å)
S1	0.037	-0.603
O2	0.037	1.037
H3	-0.879	1.343

	S1	O2	H3
S1		1.6398	2.1500
O2	1.6398		0.9655
H3	2.1500	0.9655

Number	Element	Mulliken
1	S	0.192
2	O	-0.407
3	H	0.215

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

using model chemistry: B3PW91/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
	-1.459	0.754	0.000	1.642
CHELPG
AIM
ESP

	x	y	z
x	3.890	-0.161	0.000
y	-0.161	4.802	0.000
z	0.000	0.000	3.325

<r²>	28.401
(<r²>)^1/2	5.329