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	hartrees
Energy at 0K	-724.099980
Energy at 298.15K	-724.094266
HF Energy	-724.295668
Nuclear repulsion energy	288.751680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3634	128.30
2	A	1486	1434	235.50
3	A	1239	1195	153.30
4	A	1167	1126	79.36
5	A	881	850	235.07
6	A	810	782	118.38
7	A	537	518	31.89
8	A	523	505	16.48
9	A	502	485	25.21
10	A	409	395	28.75
11	A	362	349	0.23
12	A	281	271	72.87

Atom	x (Å)	y (Å)	z (Å)
O1	-1.213	-0.830	0.214
H2	-1.986	-0.246	0.185
S3	0.079	0.013	-0.144
F4	0.455	0.492	1.303
O5	-0.293	1.181	-0.869
O6	1.084	-0.900	-0.547

	O1	H2	S3	F4	O5	O6
O1		0.9695	1.5836	2.3904	2.4627	2.4203
H2	0.9695		2.1069	2.7840	2.4524	3.2229
S3	1.5836	2.1069		1.5693	1.4242	1.4167
F4	2.3904	2.7840	1.5693		2.3979	2.3991
O5	2.4627	2.4524	1.4242	2.3979		2.5163
O6	2.4203	3.2229	1.4167	2.3991	2.5163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.869	O1	S3	O5	110.144
O1	S3	O6	107.052	H2	O1	S3	110.014
F4	S3	O5	106.617	F4	S3	O6	106.730
O5	S3	O6	124.410

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

using model chemistry: G4

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	-0.292
2	H	0.347
3	S	0.524
4	F	-0.060
5	O	-0.276
6	O	-0.243

	x	y	z	Total
	-2.609	0.185	1.077	2.828
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	98.254
(<r²>)^1/2	9.912

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

using model chemistry: G4

States and conformations

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