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	hartrees
Energy at 0K	-722.119059
Energy at 298.15K	-722.123442
Nuclear repulsion energy	296.952985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4102	3715	214.85
2	A	1626	1472	361.69
3	A	1380	1250	220.18
4	A	1269	1149	109.14
5	A	1030	933	262.65
6	A	960	869	159.44
7	A	625	566	61.39
8	A	614	556	45.03
9	A	575	521	34.31
10	A	463	419	28.65
11	A	420	380	0.46
12	A	323	292	89.85

Atom	x (Å)	y (Å)	z (Å)
O1	-1.186	-0.813	0.125
H2	-1.964	-0.272	0.098
S3	0.081	0.016	-0.129
F4	0.387	0.422	1.297
O5	-0.254	1.183	-0.807
O6	1.087	-0.844	-0.531

	O1	H2	S3	F4	O5	O6
O1		0.9478	1.5349	2.3184	2.3921	2.3658
H2	0.9478		2.0771	2.7291	2.4210	3.1670
S3	1.5349	2.0771		1.5148	1.3904	1.3833
F4	2.3184	2.7291	1.5148		2.3280	2.3313
O5	2.3921	2.4210	1.3904	2.3280		2.4459
O6	2.3658	3.1670	1.3833	2.3313	2.4459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.964	O1	S3	O5	109.615
O1	S3	O6	108.218	H2	O1	S3	111.364
F4	S3	O5	106.435	F4	S3	O6	107.020
O5	S3	O6	123.724

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

using model chemistry: HF/6-31G(2df,p)

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	-0.385
2	H	0.391
3	S	0.855
4	F	-0.137
5	O	-0.379
6	O	-0.345

	x	y	z	Total
	-2.935	0.080	1.283	3.204
CHELPG
AIM
ESP

	x	y	z
x	3.712	-0.180	-0.077
y	-0.180	3.503	-0.082
z	-0.077	-0.082	3.183

<r²>	94.215
(<r²>)^1/2	9.706

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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