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	hartrees
Energy at 0K	-623.229442
Energy at 298.15K	-623.232376
HF Energy	-622.556690
Nuclear repulsion energy	185.918571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3734	3534	127.34
2	A	1387	1313	236.26
3	A	1191	1127	106.48
4	A	1141	1080	77.98
5	A	808	764	162.71
6	A	546	517	50.20
7	A	430	407	20.26
8	A	423	401	44.53
9	A	283	268	109.21

Atom	x (Å)	y (Å)	z (Å)
S1	-0.127	0.091	0.253
O2	1.020	-1.024	-0.099
O3	0.387	1.389	-0.184
O4	-1.387	-0.477	-0.201
H5	1.876	-0.557	-0.177

	S1	O2	O3	O4	H5
S1		1.6388	1.4632	1.4544	2.1487
O2	1.6388		2.4967	2.4706	0.9778
O3	1.4632	2.4967		2.5746	2.4503
O4	1.4544	2.4706	2.5746		3.2635
H5	2.1487	0.9778	2.4503	3.2635

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	O2	H5	107.717		O2	S1	O3	107.063
O2	S1	O4	105.867		O3	S1	O4	123.878

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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