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	hartrees
Energy at 0K	-472.843208
Energy at 298.15K
HF Energy	-472.843208
Nuclear repulsion energy	47.370914

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'	3993	3605	90.72	116.14	0.30	0.46
2	A'	1261	1139	50.51	4.59	0.72	0.84
3	A'	811	732	50.96	32.45	0.34	0.50

Atom	x (Å)	y (Å)
S1	0.035	-0.637
O2	0.035	1.091
H3	-0.844	1.463

	S1	O2	H3
S1		1.7273	2.2759
O2	1.7273		0.9543
H3	2.2759	0.9543

Number	Element	Mulliken
1	S	0.369
2	O	-0.805
3	H	0.436

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

using model chemistry: HF/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
	-2.076	-0.385	0.000	2.111
CHELPG
AIM
ESP

	x	y	z
x	1.453	-0.316	0.000
y	-0.316	3.652	0.000
z	0.000	0.000	1.342

<r²>	30.326
(<r²>)^1/2	5.507