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	hartrees
Energy at 0K	-720.559224
Energy at 298.15K	-720.562782
Nuclear repulsion energy	279.677164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3265	34.95
2	A	1390	1381	171.60
3	A	1152	1145	115.85
4	A	1095	1088	75.04
5	A	832	826	243.41
6	A	739	734	92.94
7	A	472	469	23.01
8	A	459	456	14.73
9	A	452	449	32.61
10	A	365	363	26.55
11	A	318	316	0.52
12	A	201	200	107.51

Atom	x (Å)	y (Å)	z (Å)
O1	-1.285	-0.789	0.270
H2	-2.081	-0.163	0.219
S3	0.085	0.006	-0.150
F4	0.502	0.557	1.318
O5	-0.251	1.182	-0.959
O6	1.062	-1.011	-0.522

	O1	H2	S3	F4	O5	O6
O1		1.0139	1.6380	2.4695	2.5426	2.4873
H2	1.0139		2.2034	2.8974	2.5586	3.3391
S3	1.6380	2.2034		1.6219	1.4670	1.4588
F4	2.4695	2.8974	1.6219		2.4780	2.4813
O5	2.5426	2.5586	1.4670	2.4780		2.5936
O6	2.4873	3.3391	1.4588	2.4813	2.5936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.493	O1	S3	O5	109.818
O1	S3	O6	106.729	H2	O1	S3	110.143
F4	S3	O5	106.578	F4	S3	O6	107.185
O5	S3	O6	124.861

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

using model chemistry: BLYP/3-21G*

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	-0.515
2	H	0.379
3	S	1.146
4	F	-0.231
5	O	-0.404
6	O	-0.375

	x	y	z	Total
	-2.621	0.606	0.847	2.820
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	103.546
(<r²>)^1/2	10.176

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

using model chemistry: BLYP/3-21G*

States and conformations

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