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	hartrees
Energy at 0K	-722.259097
Energy at 298.15K	-722.263515
Nuclear repulsion energy	298.037756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4102	3727	222.31
2	A	1631	1482	406.46
3	A	1392	1265	232.27
4	A	1253	1138	107.71
5	A	1033	939	263.85
6	A	962	874	191.22
7	A	635	577	61.58
8	A	624	567	46.61
9	A	585	532	37.05
10	A	468	425	24.54
11	A	428	389	0.48
12	A	320	290	93.29

Atom	x (Å)	y (Å)	z (Å)
O1	-1.208	-0.767	0.143
H2	-1.975	-0.213	0.110
S3	0.080	0.009	-0.128
F4	0.399	0.446	1.282
O5	-0.210	1.161	-0.840
O6	1.056	-0.888	-0.503

	O1	H2	S3	F4	O5	O6
O1		0.9468	1.5280	2.3132	2.3833	2.3571
H2	0.9468		2.0804	2.7285	2.4299	3.1645
S3	1.5280	2.0804		1.5099	1.3848	1.3777
F4	2.3132	2.7285	1.5099		2.3205	2.3234
O5	2.3833	2.4299	1.3848	2.3205		2.4316
O6	2.3571	3.1645	1.3777	2.3234	2.4316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	99.180	O1	S3	O5	109.717
O1	S3	O6	108.314	H2	O1	S3	112.275
F4	S3	O5	106.493	F4	S3	O6	107.060
O5	S3	O6	123.339

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.384
2	H	0.269
3	S	1.485
4	F	-0.209
5	O	-0.598
6	O	-0.563

	x	y	z	Total
	-2.990	0.161	1.296	3.263
CHELPG
AIM
ESP

	x	y	z
x	4.100	-0.185	-0.077
y	-0.185	3.986	-0.100
z	-0.077	-0.100	3.653

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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