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	hartrees
Energy at 0K	-473.939764
Energy at 298.15K
HF Energy	-473.939764
Nuclear repulsion energy	49.516562

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'	3829	3623	118.52	77.27	0.27	0.43
2	A'	1155	1093	49.08	9.11	0.68	0.81
3	A'	885	837	84.04	15.84	0.27	0.43

Atom	x (Å)	y (Å)
S1	0.036	-0.604
O2	0.036	1.039
H3	-0.875	1.359

	S1	O2	H3
S1		1.6432	2.1641
O2	1.6432		0.9657
H3	2.1641	0.9657

Number	Element	Mulliken
1	S	0.099
2	O	-0.423
3	H	0.324

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

using model chemistry: M06-2X/TZVP

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
	-1.778	0.432	0.000	1.830
CHELPG
AIM
ESP

	x	y	z
x	1.950	-0.225	0.000
y	-0.225	3.884	0.000
z	0.000	0.000	1.720

<r²>	28.511
(<r²>)^1/2	5.340