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	hartrees
Energy at 0K	-472.991051
Energy at 298.15K
HF Energy	-472.991051
Nuclear repulsion energy	50.739249

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'	4124	3746	139.87	64.62	0.22	0.37
2	A'	1285	1167	72.57	2.00	0.51	0.68
3	A'	945	858	112.03	10.14	0.30	0.46

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

	S1	O2	H3
S1		1.6025	2.1301
O2	1.6025		0.9418
H3	2.1301	0.9418

Number	Element	Mulliken
1	S	0.171
2	O	-0.437
3	H	0.267

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

using model chemistry: HF/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
	-1.526	0.515	0.000	1.611
CHELPG
AIM
ESP

	x	y	z
x	2.916	-0.164	0.000
y	-0.164	3.896	0.000
z	0.000	0.000	2.610

<r²>	27.691
(<r²>)^1/2	5.262