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	hartrees
Energy at 0K	-473.906531
Energy at 298.15K
HF Energy	-473.906531
Nuclear repulsion energy	48.595170

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'	3578	3508	57.94	97.36	0.28	0.44
2	A'	1183	1159	45.89	11.30	0.54	0.70
3	A'	795	779	35.58	16.28	0.32	0.49

Atom	x (Å)	y (Å)
S1	0.038	-0.615
O2	0.038	1.062
H3	-0.901	1.346

	S1	O2	H3
S1		1.6773	2.1742
O2	1.6773		0.9802
H3	2.1742	0.9802

Number	Element	Mulliken
1	S	0.123
2	O	-0.556
3	H	0.433

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

using model chemistry: B97D3/6-31G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.692	0.755	0.000	1.853
CHELPG
AIM
ESP

	x	y	z
x	2.005	-0.280	0.000
y	-0.280	3.765	0.000
z	0.000	0.000	1.663

<r²>	28.851
(<r²>)^1/2	5.371