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	hartrees
Energy at 0K	-724.227948
Energy at 298.15K	-724.231776
Nuclear repulsion energy	284.230149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3751	3604	124.76
2	A	1448	1391	253.25
3	A	1204	1157	167.02
4	A	1163	1118	91.45
5	A	860	826	269.63
6	A	797	766	115.13
7	A	514	494	33.37
8	A	498	478	20.97
9	A	482	463	31.55
10	A	388	373	34.76
11	A	343	329	0.89
12	A	261	251	79.88

Atom	x (Å)	y (Å)	z (Å)
O1	-1.226	-0.830	0.287
H2	-2.000	-0.246	0.201
S3	0.085	-0.004	-0.148
F4	0.419	0.665	1.270
O5	-0.291	1.078	-1.027
O6	1.125	-0.957	-0.418

	O1	H2	S3	F4	O5	O6
O1		0.9739	1.6088	2.4297	2.4975	2.4575
H2	0.9739		2.1284	2.7972	2.4864	3.2648
S3	1.6088	2.1284		1.6025	1.4444	1.4361
F4	2.4297	2.7972	1.6025		2.4395	2.4452
O5	2.4975	2.4864	1.4444	2.4395		2.5529
O6	2.4575	3.2648	1.4361	2.4452	2.5529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.335	O1	S3	O5	109.652
O1	S3	O6	107.492	H2	O1	S3	108.484
F4	S3	O5	106.270	F4	S3	O6	107.036
O5	S3	O6	124.818

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

using model chemistry: B3LYP/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	-0.504
2	H	0.368
3	S	1.301
4	F	-0.278
5	O	-0.460
6	O	-0.427

	x	y	z	Total
	-2.710	0.344	0.901	2.876
CHELPG
AIM
ESP

	x	y	z
x	4.100	-0.323	-0.087
y	-0.323	3.787	-0.196
z	-0.087	-0.196	3.384

<r²>	101.169
(<r²>)^1/2	10.058

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

using model chemistry: B3LYP/6-31G**

States and conformations

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