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	hartrees
Energy at 0K	-472.943356
Energy at 298.15K
HF Energy	-472.943356
Nuclear repulsion energy	50.250880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4141	3779	138.56
2	A'	1285	1172	60.32
3	A'	908	829	96.78

Atom	x (Å)	y (Å)
S1	0.035	-0.596
O2	0.035	1.024
H3	-0.848	1.353

	S1	O2	H3
S1		1.6202	2.1406
O2	1.6202		0.9430
H3	2.1406	0.9430

Number	Element	Mulliken
1	S	0.239
2	O	-0.547
3	H	0.308

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

using model chemistry: ROHF/6-311G**

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
	-1.786	0.154	0.000	1.793
CHELPG
AIM
ESP

<r²>	28.124
(<r²>)^1/2	5.303