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	hartrees
Energy at 0K	-747.963791
Energy at 298.15K	-747.966455
HF Energy	-747.963791
Nuclear repulsion energy	283.395932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1183	1176	139.61
2	A₁	753	748	119.46
3	A₁	489	486	15.47
4	A₁	337	335	0.01
5	A₂	338	336	0.00
6	B₁	788	783	219.97
7	B₁	475	472	11.65
8	B₂	1410	1401	224.56
9	B₂	482	479	24.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.177
O2	0.000	1.278	0.835
O3	0.000	-1.278	0.835
F4	1.175	0.000	-0.900
F5	-1.175	0.000	-0.900

	S1	O2	O3	F4	F5
S1		1.4376	1.4376	1.5942	1.5942
O2	1.4376		2.5563	2.4548	2.4548
O3	1.4376	2.5563		2.4548	2.4548
F4	1.5942	2.4548	2.4548		2.3507
F5	1.5942	2.4548	2.4548	2.3507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.516	O2	S1	F4	108.015
O2	S1	F5	108.015	O3	S1	F4	108.015
O3	S1	F5	108.015	F4	S1	F5	94.996

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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	1.922
2	O	-0.593
3	O	-0.593
4	F	-0.368
5	F	-0.368

	x	y	z	Total
	0.000	0.000	-0.770	0.770
CHELPG
AIM
ESP

<r²>	98.419
(<r²>)^1/2	9.921

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

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