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	hartrees
Energy at 0K	-472.959777
Energy at 298.15K
HF Energy	-472.959777
Nuclear repulsion energy	50.093051

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'	4125	3748	127.61	63.59	0.28	0.44
2	A'	1261	1146	67.20	4.92	0.74	0.85
3	A'	924	840	108.81	12.89	0.29	0.46

Atom	x (Å)	y (Å)
S1	0.035	-0.598
O2	0.035	1.027
H3	-0.849	1.359

	S1	O2	H3
S1		1.6256	2.1480
O2	1.6256		0.9443
H3	2.1480	0.9443

Number	Element	Mulliken
1	S	0.141
2	O	-0.454
3	H	0.313

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

using model chemistry: HF/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
	-1.765	0.152	0.000	1.772
CHELPG
AIM
ESP

	x	y	z
x	1.844	-0.199	0.000
y	-0.199	3.436	0.000
z	0.000	0.000	1.685

<r²>	28.152
(<r²>)^1/2	5.306