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	hartrees
Energy at 0K	-720.190894
Energy at 298.15K	-720.193852
HF Energy	-720.190894
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	3248	45.76
2	A	1224	1203	70.32
3	A	1091	1073	81.29
4	A	989	972	68.43
5	A	719	707	168.25
6	A	634	623	60.85
7	A	383	377	23.77
8	A	357	351	9.63
9	A	350	344	31.41
10	A	290	285	64.38
11	A	246	241	9.36
12	A	180	177	63.09

Atom	x (Å)	y (Å)	z (Å)
O1	-1.237	-0.545	-0.933
H2	-2.067	-0.155	-0.501
S3	0.078	0.160	0.001
F4	0.619	-1.292	0.751
O5	-0.571	1.065	1.113
O6	1.213	0.633	-0.966

	O1	H2	S3	F4	O5	O6
O1		1.0133	1.7603	2.6152	2.6869	2.7189
H2	1.0133		2.2255	3.1742	2.5165	3.4055
S3	1.7603	2.2255		1.7212	1.5730	1.5648
F4	2.6152	3.1742	1.7212		2.6642	2.6470
O5	2.6869	2.5165	1.5730	2.6642		2.7731
O6	2.7189	3.4055	1.5648	2.6470	2.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.462	O1	S3	O5	109.204
O1	S3	O6	107.544	H2	O1	S3	111.821
F4	S3	O5	106.484	F4	S3	O6	107.316
O5	S3	O6	124.683

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

using model chemistry: B97D3/3-21G

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	-0.554
2	H	0.384
3	S	1.441
4	F	-0.272
5	O	-0.519
6	O	-0.481

	x	y	z	Total
	-2.348	-0.099	0.036	2.350
CHELPG
AIM
ESP

	x	y	z
x	4.741	0.123	-0.383
y	0.123	3.676	0.304
z	-0.383	0.304	3.937

<r²>	115.893
(<r²>)^1/2	10.765

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

using model chemistry: B97D3/3-21G

States and conformations

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