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	hartrees
Energy at 0K	-723.935576
Energy at 298.15K	-723.938033
Nuclear repulsion energy	251.840066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3350	3325	57.45
2	A	1123	1115	68.60
3	A	964	957	62.84
4	A	860	853	80.66
5	A	629	624	139.09
6	A	568	563	61.51
7	A	327	324	15.31
8	A	306	304	5.69
9	A	304	302	31.51
10	A	257	255	50.38
11	A	197	196	5.35
12	A	139	138	67.84

Atom	x (Å)	y (Å)	z (Å)
O1	1.550	0.667	0.320
H2	2.193	-0.090	0.160
S3	-0.108	0.030	-0.164
F4	-0.536	-0.782	1.402
O5	0.060	-1.154	-1.265
O6	-1.065	1.318	-0.325

	O1	H2	S3	F4	O5	O6
O1		1.0060	1.8403	2.7604	2.8368	2.7709
H2	1.0060		2.3266	3.0773	2.7776	3.5827
S3	1.8403	2.3266		1.8157	1.6253	1.6135
F4	2.7604	3.0773	1.8157		2.7582	2.7704
O5	2.8368	2.7776	1.6253	2.7582		2.8748
O6	2.7709	3.5827	1.6135	2.7704	2.8748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.052	O1	S3	O5	109.728
O1	S3	O6	106.515	H2	O1	S3	105.902
F4	S3	O5	106.427	F4	S3	O6	107.632
O5	S3	O6	125.151

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

using model chemistry: BLYP/6-31G

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	-0.524
2	H	0.392
3	S	1.249
4	F	-0.273
5	O	-0.436
6	O	-0.408

	x	y	z	Total
	2.405	-0.814	-0.102	2.541
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>	124.597
(<r²>)^1/2	11.162

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

using model chemistry: BLYP/6-31G

States and conformations

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