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	hartrees
Energy at 0K	-724.385727
Energy at 298.15K	-724.389747
Nuclear repulsion energy	289.690441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3803	3640	153.05
2	A	1509	1444	275.33
3	A	1262	1208	180.64
4	A	1157	1108	76.10
5	A	908	869	252.00
6	A	833	798	158.05
7	A	544	521	39.13
8	A	531	508	21.09
9	A	506	485	29.74
10	A	410	392	27.74
11	A	367	352	0.31
12	A	280	268	74.98

Atom	x (Å)	y (Å)	z (Å)
O1	-1.185	-0.861	0.194
H2	-1.973	-0.304	0.156
S3	0.078	0.015	-0.142
F4	0.423	0.490	1.308
O5	-0.317	1.177	-0.859
O6	1.115	-0.859	-0.542

	O1	H2	S3	F4	O5	O6
O1		0.9655	1.5733	2.3780	2.4528	2.4147
H2	0.9655		2.0969	2.7752	2.4427	3.2139
S3	1.5733	2.0969		1.5650	1.4218	1.4139
F4	2.3780	2.7752	1.5650		2.3910	2.3930
O5	2.4528	2.4427	1.4218	2.3910		2.5095
O6	2.4147	3.2139	1.4139	2.3930	2.5095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.530	O1	S3	O5	109.859
O1	S3	O6	107.757	H2	O1	S3	109.015
F4	S3	O5	106.263	F4	S3	O6	106.787
O5	S3	O6	124.499

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

using model chemistry: B1B95/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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Number	Element	Mulliken
1	O	-0.271
2	H	0.246
3	S	0.979
4	F	-0.190
5	O	-0.395
6	O	-0.369

	x	y	z	Total
	-2.719	0.038	0.987	2.893
CHELPG
AIM
ESP

	x	y	z
x	4.321	-0.282	-0.113
y	-0.282	4.119	-0.145
z	-0.113	-0.145	3.669

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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