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	hartrees
Energy at 0K	-744.418357
Energy at 298.15K	-744.421258
HF Energy	-744.418357
Nuclear repulsion energy	287.338661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1295	1228	172.20
2	A₁	875	830	87.95
3	A₁	527	499	37.02
4	A₁	366	347	0.02
5	A₂	373	353	0.00
6	B₁	957	907	216.02
7	B₁	515	488	33.07
8	B₂	1530	1451	253.36
9	B₂	523	495	38.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.166
O2	0.000	1.254	0.823
O3	0.000	-1.254	0.823
F4	1.149	0.000	-0.879
F5	-1.149	0.000	-0.879

	S1	O2	O3	F4	F5
S1		1.4161	1.4161	1.5536	1.5536
O2	1.4161		2.5089	2.4069	2.4069
O3	1.4161	2.5089		2.4069	2.4069
F4	1.5536	2.4069	2.4069		2.2982
F5	1.5536	2.4069	2.4069	2.2982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.709	O2	S1	F4	108.197
O2	S1	F5	108.197	O3	S1	F4	108.197
O3	S1	F5	108.197	F4	S1	F5	95.401

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

using model chemistry: wB97X-D/3-21G*

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	1.329
2	O	-0.410
3	O	-0.410
4	F	-0.255
5	F	-0.255

	x	y	z	Total
	0.000	0.000	-0.976	0.976
CHELPG
AIM
ESP

<r²>	95.898
(<r²>)^1/2	9.793

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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