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	hartrees
Energy at 0K	-472.976174
Energy at 298.15K
HF Energy	-472.976174
Nuclear repulsion energy	50.549023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4122	4122	135.17
2	A'	1283	1283	71.75
3	A'	937	937	111.47

Atom	x (Å)	y (Å)
S1	0.035	-0.593
O2	0.035	1.016
H3	-0.846	1.353

	S1	O2	H3
S1		1.6091	2.1355
O2	1.6091		0.9428
H3	2.1355	0.9428

Number	Element	Mulliken
1	S	0.170
2	O	-0.484
3	H	0.314

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

using model chemistry: ROHF/daug-cc-pVTZ

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
	-1.497	0.495	0.000	1.577
CHELPG
AIM
ESP

<r²>	27.892
(<r²>)^1/2	5.281