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	hartrees
Energy at 0K	-724.230874
Energy at 298.15K	-724.234868
HF Energy	-724.230874
Nuclear repulsion energy	287.712797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3842	3675	160.58
2	A	1500	1435	310.86
3	A	1248	1194	185.36
4	A	1145	1095	91.67
5	A	883	845	264.06
6	A	799	764	193.51
7	A	538	515	44.09
8	A	523	501	26.10
9	A	505	483	39.01
10	A	411	393	39.37
11	A	366	350	2.54
12	A	288	275	81.90

Atom	x (Å)	y (Å)	z (Å)
O1	-1.236	-0.765	0.347
H2	-1.991	-0.173	0.237
S3	0.082	-0.020	-0.148
F4	0.441	0.745	1.205
O5	-0.262	0.995	-1.094
O6	1.088	-1.005	-0.342

	O1	H2	S3	F4	O5	O6
O1		0.9663	1.5925	2.4137	2.4744	2.4356
H2	0.9663		2.1140	2.7735	2.4749	3.2418
S3	1.5925	2.1140		1.5948	1.4298	1.4215
F4	2.4137	2.7735	1.5948		2.4172	2.4237
O5	2.4744	2.4749	1.4298	2.4172		2.5276
O6	2.4356	3.2418	1.4215	2.4237	2.5276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.449	O1	S3	O5	109.799
O1	S3	O6	107.686	H2	O1	S3	108.944
F4	S3	O5	105.976	F4	S3	O6	106.801
O5	S3	O6	124.877

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

using model chemistry: wB97X-D/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	-0.432
2	H	0.325
3	S	1.287
4	F	-0.295
5	O	-0.460
6	O	-0.424

	x	y	z	Total
	-2.894	0.445	0.760	3.025
CHELPG
AIM
ESP

	x	y	z
x	3.917	-0.372	-0.034
y	-0.372	3.682	-0.246
z	-0.034	-0.246	3.336

<r²>	99.711
(<r²>)^1/2	9.986

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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