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	hartrees
Energy at 0K	-724.249369
Energy at 298.15K	-724.253105
Nuclear repulsion energy	283.752509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3598	92.24
2	A	1409	1401	193.66
3	A	1163	1157	129.93
4	A	1134	1128	67.87
5	A	802	798	221.70
6	A	735	731	101.90
7	A	498	495	20.84
8	A	483	480	7.38
9	A	469	466	21.62
10	A	383	381	27.03
11	A	334	333	0.18
12	A	259	257	66.03

Atom	x (Å)	y (Å)	z (Å)
O1	-1.271	-0.775	0.283
H2	-2.009	-0.132	0.243
S3	0.078	0.005	-0.152
F4	0.525	0.532	1.296
O5	-0.259	1.178	-0.924
O6	1.034	-0.994	-0.542

	O1	H2	S3	F4	O5	O6
O1		0.9801	1.6179	2.4408	2.5093	2.4572
H2	0.9801		2.1284	2.8224	2.4780	3.2583
S3	1.6179	2.1284		1.6043	1.4443	1.4364
F4	2.4408	2.8224	1.6043		2.4417	2.4423
O5	2.5093	2.4780	1.4443	2.4417		2.5566
O6	2.4572	3.2583	1.4364	2.4423	2.5566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.488	O1	S3	O5	109.929
O1	S3	O6	106.980	H2	O1	S3	107.475
F4	S3	O5	106.317	F4	S3	O6	106.744
O5	S3	O6	125.118

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.268
2	H	0.325
3	S	0.446
4	F	-0.053
5	O	-0.240
6	O	-0.209

	x	y	z	Total
	-2.434	0.364	0.971	2.646
CHELPG
AIM
ESP

	x	y	z
x	4.579	-0.262	-0.147
y	-0.262	4.304	-0.127
z	-0.147	-0.127	3.897

<r²>	101.059
(<r²>)^1/2	10.053

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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