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	hartrees
Energy at 0K	-472.981844
Energy at 298.15K
HF Energy	-472.981844
Nuclear repulsion energy	50.780775

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'	4124	3754	138.18	63.06	0.26	0.41
2	A'	1289	1173	71.16	2.50	0.61	0.76
3	A'	949	864	111.21	9.96	0.28	0.44

Atom	x (Å)	y (Å)
S1	0.035	-0.590
O2	0.035	1.011
H3	-0.846	1.347

	S1	O2	H3
S1		1.6009	2.1274
O2	1.6009		0.9428
H3	2.1274	0.9428

Number	Element	Mulliken
1	S	0.122
2	O	-0.363
3	H	0.241

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

using model chemistry: HF/cc-pV(T+d)Z

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
	-1.561	0.480	0.000	1.633
CHELPG
AIM
ESP

	x	y	z
x	2.453	-0.191	0.000
y	-0.191	3.598	0.000
z	0.000	0.000	2.200

<r²>	27.592
(<r²>)^1/2	5.253