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	hartrees
Energy at 0K	-747.817968
Energy at 298.15K	-747.820429
HF Energy	-747.817968
Nuclear repulsion energy	276.611586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1125	1118	132.35
2	A₁	723	719	114.80
3	A₁	451	448	13.75
4	A₁	304	302	0.00
5	A₂	305	303	0.00
6	B₁	755	751	211.15
7	B₁	443	440	11.53
8	B₂	1341	1333	200.92
9	B₂	441	439	22.97

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	0.000	1.310	0.852
O3	0.000	-1.310	0.852
F4	1.201	0.000	-0.926
F5	-1.201	0.000	-0.926

	S1	O2	O3	F4	F5
S1		1.4676	1.4676	1.6401	1.6401
O2	1.4676		2.6197	2.5143	2.5143
O3	1.4676	2.6197		2.5143	2.5143
F4	1.6401	2.5143	2.5143		2.4030
F5	1.6401	2.5143	2.5143	2.4030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.379	O2	S1	F4	107.879
O2	S1	F5	107.879	O3	S1	F4	107.879
O3	S1	F5	107.879	F4	S1	F5	94.208

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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	1.895
2	O	-0.545
3	O	-0.545
4	F	-0.403
5	F	-0.403

	x	y	z	Total
	0.000	0.000	-0.432	0.432
CHELPG
AIM
ESP

<r²>	102.450
(<r²>)^1/2	10.122

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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