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	hartrees
Energy at 0K	-721.669278
Energy at 298.15K	-721.673057
Nuclear repulsion energy	285.182919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3660	3592	132.46
2	A	1459	1432	226.61
3	A	1214	1191	165.72
4	A	1097	1077	85.39
5	A	883	867	263.48
6	A	810	795	103.83
7	A	501	492	31.21
8	A	486	477	18.96
9	A	468	459	31.62
10	A	384	377	39.79
11	A	331	325	0.35
12	A	257	252	77.83

Atom	x (Å)	y (Å)	z (Å)
O1	-1.115	-0.953	0.298
H2	-1.953	-0.441	0.243
S3	0.077	0.012	-0.149
F4	0.421	0.631	1.276
O5	-0.454	1.095	-0.944
O6	1.186	-0.821	-0.521

	O1	H2	S3	F4	O5	O6
O1		0.9834	1.5970	2.4138	2.4847	2.4465
H2	0.9834		2.1160	2.8017	2.4525	3.2532
S3	1.5970	2.1160		1.5917	1.4450	1.4363
F4	2.4138	2.8017	1.5917		2.4312	2.4344
O5	2.4847	2.4525	1.4450	2.4312		2.5573
O6	2.4465	3.2532	1.4363	2.4344	2.5573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.401	O1	S3	O5	109.429
O1	S3	O6	107.399	H2	O1	S3	107.793
F4	S3	O5	106.278	F4	S3	O6	106.913
O5	S3	O6	125.137

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

using model chemistry: LSDA/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	O	-0.475
2	H	0.387
3	S	1.079
4	F	-0.223
5	O	-0.401
6	O	-0.366

	x	y	z	Total
	-2.688	0.050	1.015	2.874
CHELPG
AIM
ESP

	x	y	z
x	4.257	-0.317	-0.115
y	-0.317	3.830	-0.183
z	-0.115	-0.183	3.442

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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