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	hartrees
Energy at 0K	-724.061811
Energy at 298.15K	-724.065485
HF Energy	-724.061811
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3606	3535	93.45
2	A	1408	1380	226.17
3	A	1165	1142	34.87
4	A	1161	1139	199.79
5	A	810	794	255.58
6	A	747	732	108.86
7	A	489	480	24.69
8	A	473	464	12.69
9	A	461	452	26.81
10	A	376	368	36.66
11	A	325	318	1.29
12	A	252	247	72.89

Atom	x (Å)	y (Å)	z (Å)
O1	-1.280	-0.756	0.348
H2	-2.015	-0.114	0.244
S3	0.085	-0.016	-0.152
F4	0.481	0.717	1.241
O5	-0.247	1.046	-1.089
O6	1.068	-1.051	-0.382

	O1	H2	S3	F4	O5	O6
O1		0.9811	1.6315	2.4632	2.5261	2.4769
H2	0.9811		2.1389	2.8122	2.4997	3.2825
S3	1.6315	2.1389		1.6225	1.4550	1.4462
F4	2.4632	2.8122	1.6225		2.4637	2.4703
O5	2.5261	2.4997	1.4550	2.4637		2.5748
O6	2.4769	3.2825	1.4462	2.4703	2.5748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.800	O1	S3	O5	109.844
O1	S3	O6	106.923	H2	O1	S3	108.089
F4	S3	O5	106.330	F4	S3	O6	107.008
O5	S3	O6	124.832

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

using model chemistry: B97D3/6-31G*

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	-0.572
2	H	0.447
3	S	1.223
4	F	-0.267
5	O	-0.431
6	O	-0.400

	x	y	z	Total
	-2.536	0.566	0.786	2.715
CHELPG
AIM
ESP

	x	y	z
x	4.261	-0.354	-0.105
y	-0.354	4.016	-0.227
z	-0.105	-0.227	3.592

<r²>	102.630
(<r²>)^1/2	10.131

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

using model chemistry: B97D3/6-31G*

States and conformations

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