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	hartrees
Energy at 0K	-722.033213
Energy at 298.15K	-722.037482
HF Energy	-722.033213
Nuclear repulsion energy	292.795183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4021	3613	228.23
2	A	1597	1435	400.59
3	A	1347	1210	250.25
4	A	1293	1162	118.97
5	A	1006	904	318.34
6	A	942	847	151.38
7	A	604	543	69.86
8	A	593	533	57.96
9	A	557	500	41.93
10	A	448	402	34.71
11	A	405	363	0.68
12	A	305	274	101.60

Atom	x (Å)	y (Å)	z (Å)
O1	-1.184	-0.832	0.205
H2	-1.976	-0.303	0.135
S3	0.084	0.004	-0.136
F4	0.380	0.561	1.274
O5	-0.285	1.108	-0.928
O6	1.121	-0.878	-0.455

	O1	H2	S3	F4	O5	O6
O1		0.9555	1.5566	2.3519	2.4196	2.3984
H2	0.9555		2.1003	2.7565	2.4452	3.2054
S3	1.5566	2.1003		1.5451	1.4071	1.3992
F4	2.3519	2.7565	1.5451		2.3642	2.3692
O5	2.4196	2.4452	1.4071	2.3642		2.4791
O6	2.3984	3.2054	1.3992	2.3692	2.4791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.621	O1	S3	O5	109.350
O1	S3	O6	108.355	H2	O1	S3	111.194
F4	S3	O5	106.321	F4	S3	O6	107.054
O5	S3	O6	124.109

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

using model chemistry: HF/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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	x	y	z	Total
	-3.051	0.220	1.161	3.272
CHELPG	-3.034	0.198	1.154	3.252
AIM
ESP	-3.038	0.219	1.170	3.263

Number	Element	Mulliken
1	O	-0.709
2	H	0.514
3	S	1.712
4	F	-0.363
5	O	-0.597
6	O	-0.558

	x	y	z
x	3.445	-0.256	-0.054
y	-0.256	3.209	-0.130
z	-0.054	-0.130	2.874

<r²>	96.873
(<r²>)^1/2	9.842

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

using model chemistry: HF/6-31G*

States and conformations

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