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	hartrees
Energy at 0K	-473.729969
Energy at 298.15K
HF Energy	-473.729969
Nuclear repulsion energy	48.314864

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'	3613	3613	81.30	100.14	0.19	0.31
2	A'	1120	1120	41.94	9.79	0.35	0.52
3	A'	796	796	48.54	14.00	0.30	0.46

Atom	x (Å)	y (Å)
S1	0.038	-0.619
O2	0.038	1.069
H3	-0.902	1.350

	S1	O2	H3
S1		1.6885	2.1819
O2	1.6885		0.9803
H3	2.1819	0.9803

Number	Element	Mulliken
1	S	0.153
2	O	-0.376
3	H	0.223

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

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
	-1.428	0.752	0.000	1.614
CHELPG
AIM
ESP

	x	y	z
x	4.228	-0.170	0.000
y	-0.170	5.236	0.000
z	0.000	0.000	3.573

<r²>	29.486
(<r²>)^1/2	5.430