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	hartrees
Energy at 0K	-714.979670
Energy at 298.15K	-714.981867
Nuclear repulsion energy	253.973261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3229	27.39
2	A	1274	1137	21.01
3	A	1013	904	30.30
4	A	901	804	49.04
5	A	701	625	73.65
6	A	647	578	27.39
7	A	286	255	20.79
8	A	283	252	34.60
9	A	268	239	18.56
10	A	259	231	5.96
11	A	193	172	1.05
12	A	181	161	7.68

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-1.156	-0.585
H2	-1.965	-0.575	-0.535
S3	0.109	0.153	-0.104
F4	0.313	-0.442	1.549
O5	-0.724	1.539	-0.012
O6	1.503	-0.121	-0.871

	O1	H2	S3	F4	O5	O6
O1		1.0398	1.8485	2.6592	2.7813	2.8199
H2	1.0398		2.2397	3.0903	2.5063	3.5137
S3	1.8485	2.2397		1.7687	1.6191	1.6145
F4	2.6592	3.0903	1.7687		2.7264	2.7152
O5	2.7813	2.5063	1.6191	2.7264		2.9071
O6	2.8199	3.5137	1.6145	2.7152	2.9071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	94.617	O1	S3	O5	106.473
O1	S3	O6	108.847	H2	O1	S3	97.742
F4	S3	O5	107.094	F4	S3	O6	106.661
O5	S3	O6	128.064

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

using model chemistry: B3LYP/STO-3G

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	-0.256
2	H	0.157
3	S	0.845
4	F	-0.139
5	O	-0.312
6	O	-0.295

	x	y	z	Total
	-1.222	-0.007	0.233	1.244
CHELPG
AIM
ESP

	x	y	z
x	4.068	-0.111	-0.084
y	-0.111	3.055	0.112
z	-0.084	0.112	2.483

<r²>	119.420
(<r²>)^1/2	10.928

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

using model chemistry: B3LYP/STO-3G

States and conformations

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