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	hartrees
Energy at 0K	-721.691722
Energy at 298.15K	-721.695478
Nuclear repulsion energy	284.322753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3649	3594	150.02
2	A	1439	1418	258.54
3	A	1196	1178	173.29
4	A	1085	1068	80.45
5	A	850	837	260.02
6	A	770	759	163.41
7	A	496	489	32.18
8	A	481	474	17.10
9	A	462	455	32.34
10	A	386	380	42.66
11	A	335	330	1.98
12	A	261	257	68.30

Atom	x (Å)	y (Å)	z (Å)
O1	-1.170	-0.908	0.239
H2	-1.987	-0.359	0.204
S3	0.085	0.003	-0.151
F4	0.357	0.652	1.294
O5	-0.337	1.096	-0.998
O6	1.184	-0.882	-0.422

	O1	H2	S3	F4	O5	O6
O1		0.9846	1.5989	2.4240	2.4977	2.4455
H2	0.9846		2.1332	2.7753	2.5072	3.2745
S3	1.5989	2.1332		1.6068	1.4458	1.4368
F4	2.4240	2.7753	1.6068		2.4354	2.4454
O5	2.4977	2.5072	1.4458	2.4354		2.5606
O6	2.4455	3.2745	1.4368	2.4454	2.5606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.257	O1	S3	O5	110.139
O1	S3	O6	107.212	H2	O1	S3	108.998
F4	S3	O5	105.723	F4	S3	O6	106.789
O5	S3	O6	125.317

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

using model chemistry: LSDA/6-31+G**

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	-0.551
2	H	0.410
3	S	1.412
4	F	-0.341
5	O	-0.471
6	O	-0.460

	x	y	z	Total
	-2.801	0.082	0.744	2.899
CHELPG
AIM
ESP

	x	y	z
x	5.032	-0.348	-0.080
y	-0.348	4.845	-0.233
z	-0.080	-0.233	4.406

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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