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	hartrees
Energy at 0K	-723.812963
Energy at 298.15K
HF Energy	-723.524467
Nuclear repulsion energy	284.456677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3514	132.95
2	A	1462	1388	249.27
3	A	1212	1150	154.13
4	A	1197	1137	110.78
5	A	872	827	270.60
6	A	803	762	117.57
7	A	518	491	36.58
8	A	502	476	23.52
9	A	486	461	32.80
10	A	394	374	37.32
11	A	347	329	1.07
12	A	262	249	82.03

Atom	x (Å)	y (Å)	z (Å)
O1	-1.200	-0.874	0.248
H2	-1.993	-0.307	0.188
S3	0.087	0.004	-0.148
F4	0.392	0.626	1.294
O5	-0.319	1.108	-0.985
O6	1.154	-0.908	-0.447

	O1	H2	S3	F4	O5	O6
O1		0.9771	1.6073	2.4247	2.4953	2.4544
H2	0.9771		2.1296	2.7900	2.4861	3.2662
S3	1.6073	2.1296		1.5997	1.4441	1.4357
F4	2.4247	2.7900	1.5997		2.4360	2.4424
O5	2.4953	2.4861	1.4441	2.4360		2.5550
O6	2.4544	3.2662	1.4357	2.4424	2.5550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.236	O1	S3	O5	109.610
O1	S3	O6	107.391	H2	O1	S3	108.509
F4	S3	O5	106.208	F4	S3	O6	107.027
O5	S3	O6	125.055

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

using model chemistry: B2PLYP/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	-0.647
2	H	0.482
3	S	1.501
4	F	-0.325
5	O	-0.522
6	O	-0.489

	x	y	z
x	4.092	-0.335	-0.086
y	-0.335	3.799	-0.191
z	-0.086	-0.191	3.370

<r²>	101.240
(<r²>)^1/2	10.062

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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