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	hartrees
Energy at 0K	-473.989990
Energy at 298.15K
HF Energy	-473.989990
Nuclear repulsion energy	50.052385

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'	3844	3844	106.30	74.48	0.22	0.36
2	A'	1194	1194	52.67	4.74	0.43	0.61
3	A'	882	882	74.54	13.85	0.26	0.41

Atom	x (Å)	y (Å)
S1	0.036	-0.597
O2	0.036	1.028
H3	-0.872	1.338

	S1	O2	H3
S1		1.6249	2.1385
O2	1.6249		0.9604
H3	2.1385	0.9604

Number	Element	Mulliken
1	S	0.095
2	O	-0.365
3	H	0.270

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

using model chemistry: wB97X-D/cc-pVQZ

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
	-1.505	0.783	0.000	1.697
CHELPG
AIM
ESP

	x	y	z
x	3.076	-0.185	0.000
y	-0.185	4.313	0.000
z	0.000	0.000	2.719

<r²>	28.010
(<r²>)^1/2	5.292