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	hartrees
Energy at 0K	-747.869994
Energy at 298.15K	-747.872596
HF Energy	-747.869994
Nuclear repulsion energy	281.389762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1176	1165	142.59
2	A₁	732	725	124.81
3	A₁	478	473	17.66
4	A₁	325	322	0.04
5	A₂	332	329	0.00
6	B₁	777	770	228.61
7	B₁	465	461	13.27
8	B₂	1416	1403	235.74
9	B₂	475	471	29.90

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.183
O2	0.000	1.283	0.838
O3	0.000	-1.283	0.838
F4	1.188	0.000	-0.908
F5	-1.188	0.000	-0.908

	S1	O2	O3	F4	F5
S1		1.4404	1.4404	1.6136	1.6136
O2	1.4404		2.5657	2.4716	2.4716
O3	1.4404	2.5657		2.4716	2.4716
F4	1.6136	2.4716	2.4716		2.3766
F5	1.6136	2.4716	2.4716	2.3766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.897	O2	S1	F4	107.919
O2	S1	F5	107.919	O3	S1	F4	107.919
O3	S1	F5	107.919	F4	S1	F5	94.853

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

using model chemistry: PBEPBE/6-311G**

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	1.184
2	O	-0.352
3	O	-0.352
4	F	-0.240
5	F	-0.240

	x	y	z	Total
	0.000	0.000	-0.482	0.482
CHELPG
AIM
ESP

<r²>	99.762
(<r²>)^1/2	9.988

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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