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	hartrees
Energy at 0K	-81.380277
Energy at 298.15K	-81.384505
Nuclear repulsion energy	113.242658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4068	3653	210.89
2	A	1542	1385	401.41
3	A	1311	1178	282.78
4	A	1280	1149	101.39
5	A	982	882	276.99
6	A	912	819	210.37
7	A	593	532	69.05
8	A	583	523	56.98
9	A	550	494	45.15
10	A	443	397	34.69
11	A	403	362	0.67
12	A	307	275	100.75

Atom	x (Å)	y (Å)	z (Å)
O1	-1.202	0.707	-0.380
H2	-1.960	0.147	-0.212
S3	0.105	0.043	0.173
F4	0.485	-0.794	-1.078
O5	-0.232	-0.892	1.187
O6	1.089	1.043	0.313

	O1	H2	S3	F4	O5	O6
O1		0.9582	1.5666	2.3635	2.4400	2.4166
H2	0.9582		2.1032	2.7595	2.4542	3.2214
S3	1.5666	2.1032		1.5520	1.4194	1.4106
F4	2.3635	2.7595	1.5520		2.3775	2.3823
O5	2.4400	2.4542	1.4194	2.3775		2.5005
O6	2.4166	3.2214	1.4106	2.3823	2.5005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.547	O1	S3	O5	109.499
O1	S3	O6	108.411	H2	O1	S3	110.491
F4	S3	O5	106.199	F4	S3	O6	106.954
O5	S3	O6	124.155

All results from a given calculation for HSO₃F (Fluorosulfonic acid)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	O	-0.497
2	H	0.494
3	S	1.023
4	F	-0.228
5	O	-0.412
6	O	-0.380

	x	y	z	Total
	-3.072	-0.645	-1.173	3.351
CHELPG
AIM
ESP

	x	y	z
x	3.599	0.307	0.009
y	0.307	3.401	-0.204
z	0.009	-0.204	3.136

<r²>	79.969
(<r²>)^1/2	8.943

All results from a given calculation for HSO3F (Fluorosulfonic acid)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for HSO₃F (Fluorosulfonic acid)