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	hartrees
Energy at 0K	-723.859312
Energy at 298.15K	-723.863015
Nuclear repulsion energy	281.525555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3609	3571	84.11
2	A	1408	1393	242.13
3	A	1161	1148	106.82
4	A	1131	1120	127.82
5	A	794	786	246.08
6	A	713	706	159.15
7	A	488	483	25.12
8	A	470	465	10.83
9	A	460	455	34.25
10	A	387	383	54.01
11	A	333	329	5.09
12	A	264	261	67.40

Atom	x (Å)	y (Å)	z (Å)
O1	1.338	0.632	0.350
H2	2.038	-0.045	0.242
S3	-0.089	0.040	-0.150
F4	-0.466	-0.830	1.182
O5	0.113	-0.928	-1.212
O6	-1.003	1.153	-0.198

	O1	H2	S3	F4	O5	O6
O1		0.9798	1.6236	2.4660	2.5248	2.4602
H2	0.9798		2.1640	2.7869	2.5687	3.2979
S3	1.6236	2.1640		1.6357	1.4505	1.4414
F4	2.4660	2.7869	1.6357		2.4649	2.4755
O5	2.5248	2.5687	1.4505	2.4649		2.5698
O6	2.4602	3.2979	1.4414	2.4755	2.5698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.331	O1	S3	O5	110.304
O1	S3	O6	106.627	H2	O1	S3	109.976
F4	S3	O5	105.851	F4	S3	O6	106.950
O5	S3	O6	125.404

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

using model chemistry: PBEPBE/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	-0.550
2	H	0.445
3	S	1.140
4	F	-0.269
5	O	-0.399
6	O	-0.366

	x	y	z	Total
	2.725	-0.805	0.514	2.888
CHELPG
AIM
ESP

	x	y	z
x	4.288	-0.400	0.080
y	-0.400	4.088	0.297
z	0.080	0.297	3.677

<r²>	103.270
(<r²>)^1/2	10.162

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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