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	hartrees
Energy at 0K	-472.972615
Energy at 298.15K
HF Energy	-472.972615
Nuclear repulsion energy	50.742602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4133	4133	136.10
2	A'	1286	1286	70.74
3	A'	946	946	114.20

Atom	x (Å)	y (Å)
S1	0.035	-0.590
O2	0.035	1.012
H3	-0.844	1.350

	S1	O2	H3
S1		1.6023	2.1301
O2	1.6023		0.9420
H3	2.1301	0.9420

Number	Element	Mulliken
1	S	0.130
2	O	-0.367
3	H	0.238

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

using model chemistry: ROHF/Def2TZVPP

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
	-1.583	0.457	0.000	1.648
CHELPG
AIM
ESP

<r²>	27.667
(<r²>)^1/2	5.260