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	hartrees
Energy at 0K	-714.912867
Energy at 298.15K	-714.914790
Nuclear repulsion energy	248.487016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3411	3156	41.00
2	A	1170	1082	20.73
3	A	995	920	25.69
4	A	886	820	35.33
5	A	644	596	68.54
6	A	579	536	32.89
7	A	263	244	9.71
8	A	257	237	32.15
9	A	249	230	6.78
10	A	237	219	7.16
11	A	166	153	0.75
12	A	158	146	7.70

Atom	x (Å)	y (Å)	z (Å)
O1	-1.374	-1.117	0.015
H2	-2.137	-0.385	-0.042
S3	0.108	0.088	-0.170
F4	0.558	0.119	1.589
O5	-0.518	1.557	-0.528
O6	1.317	-0.702	-0.931

	O1	H2	S3	F4	O5	O6
O1		1.0585	1.9186	2.7823	2.8600	2.8826
H2	1.0585		2.2969	3.1902	2.5742	3.5800
S3	1.9186	2.2969		1.8164	1.6371	1.6322
F4	2.7823	3.1902	1.8164		2.7765	2.7568
O5	2.8600	2.5742	1.6371	2.7765		2.9385
O6	2.8826	3.5800	1.6322	2.7568	2.9385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	96.267	O1	S3	O5	106.823
O1	S3	O6	108.276	H2	O1	S3	96.703
F4	S3	O5	106.906	F4	S3	O6	106.024
O5	S3	O6	127.998

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

using model chemistry: BLYP/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	-0.229
2	H	0.134
3	S	0.747
4	F	-0.121
5	O	-0.272
6	O	-0.258

	x	y	z	Total
	-0.918	0.401	0.229	1.028
CHELPG
AIM
ESP

	x	y	z
x	4.201	-0.252	-0.197
y	-0.252	3.334	-0.046
z	-0.197	-0.046	2.638

<r²>	123.963
(<r²>)^1/2	11.134

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

using model chemistry: BLYP/STO-3G

States and conformations

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