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	hartrees
Energy at 0K	-623.140152
Energy at 298.15K	-623.143163
HF Energy	-622.559244
Nuclear repulsion energy	187.645493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3861	3567	162.06
2	A	1409	1301	211.58
3	A	1212	1119	109.46
4	A	1176	1086	90.03
5	A	854	788	173.50
6	A	564	521	58.39
7	A	450	416	25.28
8	A	437	404	39.91
9	A	294	272	118.04

Atom	x (Å)	y (Å)	z (Å)
S1	-0.125	0.087	0.250
O2	1.017	-1.006	-0.097
O3	0.374	1.379	-0.181
O4	-1.374	-0.478	-0.199
H5	1.866	-0.549	-0.188

	S1	O2	O3	O4	H5
S1		1.6184	1.4510	1.4430	2.1350
O2	1.6184		2.4723	2.4510	0.9688
O3	1.4510	2.4723		2.5510	2.4378
O4	1.4430	2.4510	2.5510		3.2410
H5	2.1350	0.9688	2.4378	3.2410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	O2	H5	108.606		O2	S1	O3	107.185
O2	S1	O4	106.236		O3	S1	O4	123.640

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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