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	hartrees
Energy at 0K	-748.082147
Energy at 298.15K	-748.085045
HF Energy	-748.082147
Nuclear repulsion energy	287.910759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1281	1217	183.64
2	A₁	890	846	110.10
3	A₁	538	512	35.03
4	A₁	366	347	0.00
5	A₂	360	342	0.00
6	B₁	937	891	240.94
7	B₁	522	496	30.35
8	B₂	1507	1432	287.32
9	B₂	523	497	36.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.172
O2	0.000	1.263	0.826
O3	0.000	-1.263	0.826
F4	1.149	0.000	-0.887
F5	-1.149	0.000	-0.887

	S1	O2	O3	F4	F5
S1		1.4217	1.4217	1.5626	1.5626
O2	1.4217		2.5254	2.4181	2.4181
O3	1.4217	2.5254		2.4181	2.4181
F4	1.5626	2.4181	2.4181		2.2974
F5	1.5626	2.4181	2.4181	2.2974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.290	O2	S1	F4	108.151
O2	S1	F5	108.151	O3	S1	F4	108.151
O3	S1	F5	108.151	F4	S1	F5	94.635

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)

using model chemistry: M06-2X/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	S	1.417
2	O	-0.438
3	O	-0.438
4	F	-0.270
5	F	-0.270

	x	y	z	Total
	0.000	0.000	-1.047	1.047
CHELPG
AIM
ESP

<r²>	95.727
(<r²>)^1/2	9.784

All results from a given calculation for SO2F2 (Sulfuryl fluoride)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)