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	hartrees
Energy at 0K	-623.267583
Energy at 298.15K	-623.270476
HF Energy	-622.576067
Nuclear repulsion energy	184.335389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3822	3656	121.81
2	A	1355	1296	274.93
3	A	1152	1103	96.10
4	A	1111	1063	70.26
5	A	788	754	149.33
6	A	524	501	44.18
7	A	421	402	17.35
8	A	414	396	42.09
9	A	272	260	92.62

Atom	x (Å)	y (Å)	z (Å)
S1	-0.128	0.088	0.255
O2	1.054	-1.013	-0.105
O3	0.355	1.412	-0.186
O4	-1.388	-0.511	-0.200
H5	1.882	-0.505	-0.150

	S1	O2	O3	O4	H5
S1		1.6556	1.4767	1.4669	2.1351
O2	1.6556		2.5251	2.4949	0.9721
O3	1.4767	2.5251		2.5947	2.4516
O4	1.4669	2.4949	2.5947		3.2702
H5	2.1351	0.9721	2.4516	3.2702

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	O2	H5	105.728		O2	S1	O3	107.302
O2	S1	O4	105.909		O3	S1	O4	123.635

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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