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	hartrees
Energy at 0K	-747.746480
Energy at 298.15K	-747.749094
HF Energy	-747.746480
Nuclear repulsion energy	281.150711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1187	1170	142.40
2	A₁	777	767	98.60
3	A₁	482	475	18.15
4	A₁	325	321	0.00
5	A₂	325	321	0.00
6	B₁	833	822	200.92
7	B₁	462	456	15.18
8	B₂	1411	1392	210.34
9	B₂	473	467	24.73

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.179
O2	0.000	1.288	0.844
O3	0.000	-1.288	0.844
F4	1.182	0.000	-0.909
F5	-1.182	0.000	-0.909

	S1	O2	O3	F4	F5
S1		1.4499	1.4499	1.6063	1.6063
O2	1.4499		2.5768	2.4758	2.4758
O3	1.4499	2.5768		2.4758	2.4758
F4	1.6063	2.4758	2.4758		2.3632
F5	1.6063	2.4758	2.4758	2.3632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.403	O2	S1	F4	108.101
O2	S1	F5	108.101	O3	S1	F4	108.101
O3	S1	F5	108.101	F4	S1	F5	94.713

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

using model chemistry: PBEPBE/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	1.207
2	O	-0.371
3	O	-0.371
4	F	-0.232
5	F	-0.232

	x	y	z	Total
	0.000	0.000	-0.829	0.829
CHELPG
AIM
ESP

<r²>	99.200
(<r²>)^1/2	9.960

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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