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	hartrees
Energy at 0K	-748.285286
Energy at 298.15K	-748.288007
HF Energy	-748.285286
Nuclear repulsion energy	284.696352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1199	1182	144.09
2	A₁	760	749	125.34
3	A₁	500	493	16.02
4	A₁	346	341	0.01
5	A₂	348	343	0.00
6	B₁	798	787	232.01
7	B₁	486	479	12.01
8	B₂	1430	1410	228.33
9	B₂	496	489	26.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.175
O2	0.000	1.272	0.832
O3	0.000	-1.272	0.832
F4	1.172	0.000	-0.895
F5	-1.172	0.000	-0.895

	S1	O2	O3	F4	F5
S1		1.4312	1.4312	1.5865	1.5865
O2	1.4312		2.5431	2.4434	2.4434
O3	1.4312	2.5431		2.4434	2.4434
F4	1.5865	2.4434	2.4434		2.3436
F5	1.5865	2.4434	2.4434	2.3436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.363	O2	S1	F4	108.023
O2	S1	F5	108.023	O3	S1	F4	108.023
O3	S1	F5	108.023	F4	S1	F5	95.221

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

using model chemistry: B97D3/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	1.024
2	O	-0.336
3	O	-0.336
4	F	-0.176
5	F	-0.176

	x	y	z	Total
	0.000	0.000	-0.819	0.819
CHELPG
AIM
ESP

<r²>	97.322
(<r²>)^1/2	9.865

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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