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	hartrees
Energy at 0K	-473.923812
Energy at 298.15K
HF Energy	-473.923812
Nuclear repulsion energy	49.153163

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'	3658	3658	70.45	84.57	0.26	0.41
2	A'	1171	1171	40.27	9.40	0.46	0.63
3	A'	806	806	40.26	13.78	0.27	0.42

Atom	x (Å)	y (Å)
S1	0.037	-0.608
O2	0.037	1.049
H3	-0.893	1.333

	S1	O2	H3
S1		1.6575	2.1521
O2	1.6575		0.9724
H3	2.1521	0.9724

Number	Element	Mulliken
1	S	-0.036
2	O	-0.300
3	H	0.336

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

using model chemistry: B97D3/6-31G(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
	-1.482	0.901	0.000	1.734
CHELPG
AIM
ESP

	x	y	z
x	2.609	-0.251	0.000
y	-0.251	3.973	0.000
z	0.000	0.000	2.223

<r²>	28.392
(<r²>)^1/2	5.328