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	hartrees
Energy at 0K	-623.316797
Energy at 298.15K	-623.319531
HF Energy	-622.571856
Nuclear repulsion energy	182.231792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3759	3620
2	A	1246	1200
3	A	1114	1073
4	A	1033	995
5	A	716	690
6	A	488	470
7	A	392	378
8	A	390	376
9	A	248	239

Atom	x (Å)	y (Å)	z (Å)
S1	-0.131	0.093	0.263
O2	1.054	-1.040	-0.104
O3	0.379	1.420	-0.192
O4	-1.407	-0.501	-0.208
H5	1.876	-0.519	-0.173

	S1	O2	O3	O4	H5
S1		1.6804	1.4928	1.4842	2.1430
O2	1.6804		2.5531	2.5221	0.9755
O3	1.4928	2.5531		2.6232	2.4502
O4	1.4842	2.5221	2.6232		3.2836
H5	2.1430	0.9755	2.4502	3.2836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	O2	H5	104.435		O2	S1	O3	106.991
O2	S1	O4	105.516		O3	S1	O4	123.562

All results from a given calculation for HSO₃ (Hydroxysulfonyl radical)

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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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All results from a given calculation for HSO3 (Hydroxysulfonyl radical)

using model chemistry: CCSD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for HSO₃ (Hydroxysulfonyl radical)