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	hartrees
Energy at 0K	-748.126419
Energy at 298.15K	-748.129253
HF Energy	-748.126419
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1286	1220	169.38
2	A₁	853	809	117.84
3	A₁	527	500	30.20
4	A₁	357	339	0.01
5	A₂	356	337	0.00
6	B₁	904	858	237.89
7	B₁	511	485	25.27
8	B₂	1525	1446	277.04
9	B₂	514	488	33.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.167
O2	0.000	1.256	0.823
O3	0.000	-1.256	0.823
F4	1.150	0.000	-0.880
F5	-1.150	0.000	-0.880

	S1	O2	O3	F4	F5
S1		1.4166	1.4166	1.5555	1.5555
O2	1.4166		2.5114	2.4083	2.4083
O3	1.4166	2.5114		2.4083	2.4083
F4	1.5555	2.4083	2.4083		2.3008
F5	1.5555	2.4083	2.4083	2.3008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.844	O2	S1	F4	108.156
O2	S1	F5	108.156	O3	S1	F4	108.156
O3	S1	F5	108.156	F4	S1	F5	95.389

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

using model chemistry: wB97X-D/6-31G*

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	1.383
2	O	-0.427
3	O	-0.427
4	F	-0.264
5	F	-0.264

	x	y	z	Total
	0.000	0.000	-1.016	1.016
CHELPG
AIM
ESP

<r²>	96.197
(<r²>)^1/2	9.808

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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