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	hartrees
Energy at 0K	-721.883731
Energy at 298.15K	-721.887602
Nuclear repulsion energy	287.739318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3615	147.89
2	A	1470	1454	238.82
3	A	1225	1211	162.60
4	A	1099	1087	73.98
5	A	875	866	245.61
6	A	795	786	143.30
7	A	516	511	32.28
8	A	503	497	15.78
9	A	481	476	27.91
10	A	395	391	28.39
11	A	349	345	0.33
12	A	261	259	72.42

Atom	x (Å)	y (Å)	z (Å)
O1	-1.148	-0.912	0.235
H2	-1.963	-0.369	0.207
S3	0.076	0.014	-0.147
F4	0.426	0.546	1.298
O5	-0.386	1.149	-0.887
O6	1.150	-0.833	-0.541

	O1	H2	S3	F4	O5	O6
O1		0.9800	1.5815	2.3940	2.4673	2.4260
H2	0.9800		2.1045	2.7808	2.4469	3.2345
S3	1.5815	2.1045		1.5782	1.4316	1.4232
F4	2.3940	2.7808	1.5782		2.4071	2.4090
O5	2.4673	2.4469	1.4316	2.4071		2.5313
O6	2.4260	3.2345	1.4232	2.4090	2.5313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.518	O1	S3	O5	109.844
O1	S3	O6	107.565	H2	O1	S3	108.179
F4	S3	O5	106.111	F4	S3	O6	106.645
O5	S3	O6	124.915

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

using model chemistry: LSDA/cc-pVTZ

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	-0.247
2	H	0.238
3	S	0.854
4	F	-0.168
5	O	-0.352
6	O	-0.326

	x	y	z	Total
	-2.684	-0.027	0.987	2.860
CHELPG
AIM
ESP

	x	y	z
x	4.601	-0.299	-0.128
y	-0.299	4.311	-0.169
z	-0.128	-0.169	3.867

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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