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	hartrees
Energy at 0K	-473.940123
Energy at 298.15K
HF Energy	-473.940123
Nuclear repulsion energy	48.747910

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'	3580	3561	60.66	92.18	0.27	0.42
2	A'	1150	1144	39.73	11.01	0.45	0.63
3	A'	783	778	35.65	14.31	0.27	0.43

Atom	x (Å)	y (Å)
S1	0.037	-0.613
O2	0.037	1.058
H3	-0.899	1.344

	S1	O2	H3
S1		1.6715	2.1701
O2	1.6715		0.9795
H3	2.1701	0.9795

Number	Element	Mulliken
1	S	-0.049
2	O	-0.270
3	H	0.319

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

using model chemistry: BLYP/6-31G(2df,p)

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.478	0.910	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	2.630	-0.277	0.000
y	-0.277	4.044	0.000
z	0.000	0.000	2.221

<r²>	28.783
(<r²>)^1/2	5.365