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	hartrees
Energy at 0K	-724.186210
Energy at 298.15K	-724.189785
Nuclear repulsion energy	278.977840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3598	3570	85.41
2	A	1366	1356	206.38
3	A	1128	1120	35.03
4	A	1127	1118	184.72
5	A	786	780	243.64
6	A	723	717	100.61
7	A	474	470	21.03
8	A	457	453	9.33
9	A	447	444	27.13
10	A	360	357	32.19
11	A	313	310	0.98
12	A	239	237	72.14

Atom	x (Å)	y (Å)	z (Å)
O1	1.298	0.746	0.365
H2	2.027	0.095	0.244
S3	-0.085	0.017	-0.154
F4	-0.498	-0.729	1.245
O5	0.243	-1.047	-1.108
O6	-1.064	1.074	-0.381

	O1	H2	S3	F4	O5	O6
O1		0.9849	1.6471	2.4849	2.5488	2.4987
H2	0.9849		2.1507	2.8384	2.5125	3.3021
S3	1.6471	2.1507		1.6381	1.4669	1.4581
F4	2.4849	2.8384	1.6381		2.4873	2.4928
O5	2.5488	2.5125	1.4669	2.4873		2.5955
O6	2.4987	3.3021	1.4581	2.4928	2.5955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.292	O1	S3	O5	109.736
O1	S3	O6	107.003	H2	O1	S3	106.892
F4	S3	O5	106.334	F4	S3	O6	107.099
O5	S3	O6	125.086

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

using model chemistry: BLYP/6-31G**

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	-0.474
2	H	0.349
3	S	1.190
4	F	-0.255
5	O	-0.421
6	O	-0.391

	x	y	z	Total
	2.494	-0.567	0.759	2.668
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	104.228
(<r²>)^1/2	10.209

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

using model chemistry: BLYP/6-31G**

States and conformations

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