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	hartrees
Energy at 0K	-724.061781
Energy at 298.15K	-724.065648
Nuclear repulsion energy	285.252486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3633	135.54
2	A	1471	1410	264.52
3	A	1225	1174	175.92
4	A	1161	1113	91.35
5	A	878	841	272.68
6	A	813	779	120.25
7	A	520	499	35.46
8	A	505	484	23.08
9	A	486	466	31.93
10	A	393	377	35.76
11	A	347	332	0.89
12	A	264	253	81.24

Atom	x (Å)	y (Å)	z (Å)
O1	-1.201	-0.854	0.283
H2	-1.986	-0.286	0.207
S3	0.084	-0.002	-0.147
F4	0.405	0.664	1.268
O5	-0.317	1.074	-1.016
O6	1.141	-0.927	-0.425

	O1	H2	S3	F4	O5	O6
O1		0.9715	1.6011	2.4195	2.4874	2.4481
H2	0.9715		2.1196	2.7834	2.4764	3.2542
S3	1.6011	2.1196		1.5960	1.4404	1.4321
F4	2.4195	2.7834	1.5960		2.4307	2.4366
O5	2.4874	2.4764	1.4404	2.4307		2.5463
O6	2.4481	3.2542	1.4321	2.4366	2.5463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.360	O1	S3	O5	109.619
O1	S3	O6	107.496	H2	O1	S3	108.465
F4	S3	O5	106.247	F4	S3	O6	107.031
O5	S3	O6	124.850

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

using model chemistry: B3PW91/6-31G**

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	-0.517
2	H	0.380
3	S	1.317
4	F	-0.280
5	O	-0.467
6	O	-0.433

	x	y	z	Total
	-2.731	0.291	0.934	2.901
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>	100.499
(<r²>)^1/2	10.025

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

using model chemistry: B3PW91/6-31G**

States and conformations

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