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	hartrees
Energy at 0K	-723.884131
Energy at 298.15K	-723.886925
Nuclear repulsion energy	259.528637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3559	3394	118.61
2	A	1181	1126	71.64
3	A	1020	973	65.73
4	A	914	872	114.34
5	A	721	687	171.39
6	A	659	629	63.59
7	A	361	344	31.44
8	A	339	323	24.99
9	A	337	322	36.42
10	A	275	262	56.67
11	A	229	219	2.90
12	A	155	148	87.31

Atom	x (Å)	y (Å)	z (Å)
O1	-1.165	-1.113	-0.315
H2	-2.035	-0.644	-0.304
S3	0.119	0.075	-0.130
F4	0.080	0.154	1.619
O5	-0.383	1.493	-0.657
O6	1.474	-0.624	-0.551

	O1	H2	S3	F4	O5	O6
O1		0.9886	1.7585	2.6260	2.7418	2.6939
H2	0.9886		2.2778	2.9685	2.7248	3.5182
S3	1.7585	2.2778		1.7511	1.5936	1.5819
F4	2.6260	2.9685	1.7511		2.6803	2.6933
O5	2.7418	2.7248	1.5936	2.6803		2.8182
O6	2.6939	3.5182	1.5819	2.6933	2.8182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	96.877	O1	S3	O5	109.659
O1	S3	O6	107.388	H2	O1	S3	108.772
F4	S3	O5	106.426	F4	S3	O6	107.710
O5	S3	O6	125.113

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

using model chemistry: B1B95/6-31G

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	-0.600
2	H	0.436
3	S	1.435
4	F	-0.314
5	O	-0.495
6	O	-0.462

	x	y	z	Total
	-2.854	-0.114	-0.184	2.863
CHELPG
AIM
ESP

	x	y	z
x	5.337	-0.275	-0.128
y	-0.275	4.889	-0.139
z	-0.128	-0.139	3.967

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-31G

States and conformations

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