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	hartrees
Energy at 0K	-724.285881
Energy at 298.15K	-724.289752
HF Energy	-724.285881
Nuclear repulsion energy	287.099852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3646	111.32
2	A	1444	1425	251.16
3	A	1201	1185	150.56
4	A	1142	1127	75.08
5	A	822	812	227.34
6	A	742	732	162.94
7	A	521	515	24.86
8	A	506	500	8.02
9	A	488	481	24.14
10	A	398	393	26.26
11	A	352	347	0.87
12	A	277	273	65.25

Atom	x (Å)	y (Å)	z (Å)
O1	-1.291	-0.682	0.320
H2	-2.000	-0.021	0.242
S3	0.079	-0.019	-0.147
F4	0.497	0.665	1.228
O5	-0.175	1.048	-1.060
O6	0.998	-1.074	-0.376

	O1	H2	S3	F4	O5	O6
O1		0.9721	1.5928	2.4167	2.4783	2.4250
H2	0.9721		2.1156	2.7717	2.4838	3.2375
S3	1.5928	2.1156		1.5921	1.4261	1.4183
F4	2.4167	2.7717	1.5921		2.4151	2.4190
O5	2.4783	2.4838	1.4261	2.4151		2.5190
O6	2.4250	3.2375	1.4183	2.4190	2.5190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.929	O1	S3	O5	110.400
O1	S3	O6	107.111	H2	O1	S3	107.878
F4	S3	O5	106.127	F4	S3	O6	106.576
O5	S3	O6	124.619

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.315
2	H	0.264
3	S	0.980
4	F	-0.183
5	O	-0.389
6	O	-0.356

	x	y	z	Total
	-2.557	0.521	0.883	2.755
CHELPG
AIM
ESP

	x	y	z
x	5.131	-0.257	-0.102
y	-0.257	5.020	-0.182
z	-0.102	-0.182	4.670

<r²>	99.683
(<r²>)^1/2	9.984

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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