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	hartrees
Energy at 0K	-723.083461
Energy at 298.15K	-723.087500
Nuclear repulsion energy	288.005904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3861	3684	141.52
2	A	1501	1432	292.65
3	A	1241	1184	183.93
4	A	1177	1123	93.48
5	A	897	856	251.89
6	A	813	776	179.70
7	A	543	518	48.71
8	A	530	506	33.79
9	A	513	489	43.41
10	A	417	398	36.77
11	A	375	357	2.19
12	A	292	279	77.45

Atom	x (Å)	y (Å)	z (Å)
O1	-1.193	-0.840	0.279
H2	-1.970	-0.271	0.230
S3	0.087	-0.008	-0.147
F4	0.370	0.706	1.240
O5	-0.292	1.026	-1.051
O6	1.141	-0.931	-0.358

	O1	H2	S3	F4	O5	O6
O1		0.9644	1.5854	2.3995	2.4620	2.4208
H2	0.9644		2.1084	2.7296	2.4778	3.2341
S3	1.5854	2.1084		1.5851	1.4245	1.4165
F4	2.3995	2.7296	1.5851		2.4058	2.4137
O5	2.4620	2.4778	1.4245	2.4058		2.5224
O6	2.4208	3.2341	1.4165	2.4137	2.5224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.366	O1	S3	O5	109.647
O1	S3	O6	107.359	H2	O1	S3	109.119
F4	S3	O5	106.019	F4	S3	O6	106.918
O5	S3	O6	125.210

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

using model chemistry: QCISD/6-311G**

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

using model chemistry: QCISD/6-311G**

States and conformations

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