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	hartrees
Energy at 0K	-473.934690
Energy at 298.15K
HF Energy	-473.934690
Nuclear repulsion energy	48.347328

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'	3601	3570	73.93	82.13	0.28	0.44
2	A'	1126	1116	38.24	8.23	0.57	0.72
3	A'	788	781	33.24	15.74	0.30	0.46

Atom	x (Å)	y (Å)
S1	0.038	-0.618
O2	0.038	1.070
H3	-0.905	1.335

	S1	O2	H3
S1		1.6882	2.1688
O2	1.6882		0.9795
H3	2.1688	0.9795

Number	Element	Mulliken
1	S	0.057
2	O	-0.251
3	H	0.194

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

using model chemistry: B97D3/cc-pVDZ

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
	-1.592	0.646	0.000	1.718
CHELPG
AIM
ESP

	x	y	z
x	1.894	-0.289	0.000
y	-0.289	3.796	0.000
z	0.000	0.000	1.599

<r²>	28.953
(<r²>)^1/2	5.381