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	hartrees
Energy at 0K	-724.309639
Energy at 298.15K	-724.313245
Nuclear repulsion energy	279.198430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3567	3558	75.30
2	A	1366	1363	228.78
3	A	1144	1141	35.32
4	A	1115	1112	189.74
5	A	752	750	243.22
6	A	678	677	154.43
7	A	474	473	20.67
8	A	455	454	6.44
9	A	449	448	33.90
10	A	378	377	53.81
11	A	325	324	5.73
12	A	258	257	62.94

Atom	x (Å)	y (Å)	z (Å)
O1	-1.394	0.512	-0.394
H2	-2.049	-0.191	-0.188
S3	0.092	0.066	0.145
F4	0.490	-0.964	-1.089
O5	-0.029	-0.766	1.336
O6	0.945	1.230	0.017

	O1	H2	S3	F4	O5	O6
O1		0.9821	1.6423	2.4924	2.5471	2.4807
H2	0.9821		2.1812	2.8025	2.5941	3.3195
S3	1.6423	2.1812		1.6559	1.4579	1.4485
F4	2.4924	2.8025	1.6559		2.4873	2.4985
O5	2.5471	2.5941	1.4579	2.4873		2.5832
O6	2.4807	3.3195	1.4485	2.4985	2.5832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.170	O1	S3	O5	110.347
O1	S3	O6	106.589	H2	O1	S3	109.866
F4	S3	O5	105.860	F4	S3	O6	107.000
O5	S3	O6	125.450

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

using model chemistry: BLYP/6-311G*

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	-0.549
2	H	0.435
3	S	1.174
4	F	-0.282
5	O	-0.405
6	O	-0.373

	x	y	z	Total
	-2.650	-0.977	-0.269	2.837
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>	104.838
(<r²>)^1/2	10.239

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

using model chemistry: BLYP/6-311G*

States and conformations

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