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	hartrees
Energy at 0K	-724.298938
Energy at 298.15K	-724.302896
Nuclear repulsion energy	287.351209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3773	3617	121.75
2	A	1496	1435	299.01
3	A	1239	1188	172.75
4	A	1163	1115	103.28
5	A	876	840	273.37
6	A	794	761	184.61
7	A	530	508	39.30
8	A	515	494	25.71
9	A	497	476	39.70
10	A	415	397	54.90
11	A	361	346	3.48
12	A	288	276	79.41

Atom	x (Å)	y (Å)	z (Å)
O1	1.254	0.748	0.279
H2	2.017	0.158	0.221
S3	-0.087	0.017	-0.147
F4	-0.404	-0.711	1.234
O5	0.198	-1.022	-1.081
O6	-1.074	1.020	-0.319

	O1	H2	S3	F4	O5	O6
O1		0.9670	1.5856	2.4061	2.4698	2.4190
H2	0.9670		2.1413	2.7647	2.5299	3.2549
S3	1.5856	2.1413		1.5931	1.4262	1.4177
F4	2.4061	2.7647	1.5931		2.4120	2.4208
O5	2.4698	2.5299	1.4262	2.4120		2.5239
O6	2.4190	3.2549	1.4177	2.4208	2.5239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.389	O1	S3	O5	110.063
O1	S3	O6	107.169	H2	O1	S3	111.741
F4	S3	O5	105.908	F4	S3	O6	106.889
O5	S3	O6	125.115

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

using model chemistry: B1B95/6-311G*

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	-0.586
2	H	0.464
3	S	1.260
4	F	-0.288
5	O	-0.443
6	O	-0.406

	x	y	z	Total
	2.917	-0.523	0.706	3.047
CHELPG
AIM
ESP

	x	y	z
x	3.965	-0.369	0.069
y	-0.369	3.744	0.238
z	0.069	0.238	3.306

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-311G*

States and conformations

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