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	hartrees
Energy at 0K	-473.881654
Energy at 298.15K
HF Energy	-473.881654
Nuclear repulsion energy	45.510544

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'	3370	3344	26.34	127.16	0.31	0.47
2	A'	1120	1111	46.60	14.85	0.62	0.76
3	A'	698	693	17.33	17.95	0.35	0.51

Atom	x (Å)	y (Å)
S1	0.038	-0.660
O2	0.038	1.141
H3	-0.918	1.437

	S1	O2	H3
S1		1.8011	2.3048
O2	1.8011		1.0009
H3	2.3048	1.0009

Number	Element	Mulliken
1	S	0.158
2	O	-0.540
3	H	0.382

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

using model chemistry: BLYP/6-31G

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
	-1.951	0.497	0.000	2.013
CHELPG
AIM
ESP

	x	y	z
x	1.670	-0.393	0.000
y	-0.393	4.326	0.000
z	0.000	0.000	1.307

<r²>	31.683
(<r²>)^1/2	5.629