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	hartrees
Energy at 0K	-747.770167
Energy at 298.15K	-747.772723
HF Energy	-747.770167
Nuclear repulsion energy	279.892669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1165	1151	151.12
2	A₁	737	728	131.17
3	A₁	473	468	16.13
4	A₁	321	317	0.02
5	A₂	323	319	0.00
6	B₁	775	766	242.33
7	B₁	458	452	13.18
8	B₂	1392	1376	230.14
9	B₂	465	460	27.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.184
O2	0.000	1.292	0.844
O3	0.000	-1.292	0.844
F4	1.191	0.000	-0.914
F5	-1.191	0.000	-0.914

	S1	O2	O3	F4	F5
S1		1.4506	1.4506	1.6199	1.6199
O2	1.4506		2.5839	2.4854	2.4854
O3	1.4506	2.5839		2.4854	2.4854
F4	1.6199	2.4854	2.4854		2.3817
F5	1.6199	2.4854	2.4854	2.3817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.910	O2	S1	F4	107.953
O2	S1	F5	107.953	O3	S1	F4	107.953
O3	S1	F5	107.953	F4	S1	F5	94.637

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

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

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	1.577
2	O	-0.449
3	O	-0.449
4	F	-0.339
5	F	-0.339

	x	y	z	Total
	0.000	0.000	-0.513	0.513
CHELPG
AIM
ESP

<r²>	100.645
(<r²>)^1/2	10.032

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

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

States and conformations

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