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	hartrees
Energy at 0K	-624.522498
Energy at 298.15K	-624.525335
HF Energy	-624.522498
Nuclear repulsion energy	185.516492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3610	128.34
2	A	1267	1226	139.06
3	A	1110	1074	77.30
4	A	1070	1035	66.68
5	A	726	703	149.15
6	A	510	493	25.71
7	A	413	400	8.19
8	A	405	392	31.82
9	A	274	265	85.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.095	0.086	-0.296
O2	-1.219	-0.798	0.045
O3	-0.062	1.443	0.213
O4	1.297	-0.763	0.229
H5	-1.641	-0.437	0.840

	S1	O2	O3	O4	H5
S1		1.6201	1.4574	1.5629	2.1401
O2	1.6201		2.5271	2.5235	0.9694
O3	1.4574	2.5271		2.5904	2.5341
O4	1.5629	2.5235	2.5904		3.0189
H5	2.1401	0.9694	2.5341	3.0189

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	O2	H5	108.865		O2	S1	O3	110.287
O2	S1	O4	104.884		O3	S1	O4	118.073

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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