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	hartrees
Energy at 0K	-747.873210
Energy at 298.15K	-747.876138
HF Energy	-747.873210
Nuclear repulsion energy	290.980171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1293	1238	146.87
2	A₁	854	818	102.10
3	A₁	542	519	24.31
4	A₁	375	359	0.08
5	A₂	374	359	0.00
6	B₁	901	863	206.41
7	B₁	530	508	19.70
8	B₂	1531	1467	238.47
9	B₂	532	509	27.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.166
O2	0.000	1.250	0.816
O3	0.000	-1.250	0.816
F4	1.141	0.000	-0.873
F5	-1.141	0.000	-0.873

	S1	O2	O3	F4	F5
S1		1.4091	1.4091	1.5430	1.5430
O2	1.4091		2.5006	2.3910	2.3910
O3	1.4091	2.5006		2.3910	2.3910
F4	1.5430	2.3910	2.3910		2.2814
F5	1.5430	2.3910	2.3910	2.2814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.074	O2	S1	F4	108.093
O2	S1	F5	108.093	O3	S1	F4	108.093
O3	S1	F5	108.093	F4	S1	F5	95.336

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.535
2	O	-0.230
3	O	-0.230
4	F	-0.037
5	F	-0.037

	x	y	z	Total
	0.000	0.000	-1.170	1.170
CHELPG
AIM
ESP

<r²>	93.619
(<r²>)^1/2	9.676

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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