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	hartrees
Energy at 0K	-745.592895
Energy at 298.15K	-745.595593
HF Energy	-745.592895
Nuclear repulsion energy	285.289762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1238	1215	151.16
2	A₁	825	810	97.67
3	A₁	496	487	22.39
4	A₁	336	330	0.01
5	A₂	334	328
6	B₁	887	870	206.29
7	B₁	476	467	19.05
8	B₂	1471	1443	219.01
9	B₂	486	477	26.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.175
O2	0.000	1.276	0.832
O3	0.000	-1.276	0.832
F4	1.159	0.000	-0.895
F5	-1.159	0.000	-0.895

	S1	O2	O3	F4	F5
S1		1.4350	1.4350	1.5769	1.5769
O2	1.4350		2.5513	2.4396	2.4396
O3	1.4350	2.5513		2.4396	2.4396
F4	1.5769	2.4396	2.4396		2.3176
F5	1.5769	2.4396	2.4396	2.3176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.481	O2	S1	F4	108.098
O2	S1	F5	108.098	O3	S1	F4	108.098
O3	S1	F5	108.098	F4	S1	F5	94.590

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

using model chemistry: LSDA/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	1.115
2	O	-0.350
3	O	-0.350
4	F	-0.207
5	F	-0.207

	x	y	z	Total
	0.000	0.000	-0.958	0.958
CHELPG
AIM
ESP

<r²>	96.892
(<r²>)^1/2	9.843

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

using model chemistry: LSDA/6-31G*

States and conformations

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