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	hartrees
Energy at 0K	-738.476806
Energy at 298.15K	-738.478136
HF Energy	-738.476806
Nuclear repulsion energy	255.527636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	940	832	50.80
2	A₁	678	600	20.49
3	A₁	287	254	14.50
4	A₁	208	184	0.46
5	A₂	210	186	0.00
6	B₁	721	638	67.02
7	B₁	272	241	14.04
8	B₂	1071	948	32.36
9	B₂	306	271	12.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.213
O2	0.000	1.441	0.921
O3	0.000	-1.441	0.921
F4	1.269	0.000	-1.008
F5	-1.269	0.000	-1.008

	S1	O2	O3	F4	F5
S1		1.6056	1.6056	1.7613	1.7613
O2	1.6056		2.8817	2.7222	2.7222
O3	1.6056	2.8817		2.7222	2.7222
F4	1.7613	2.7222	2.7222		2.5385
F5	1.7613	2.7222	2.7222	2.5385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	127.636	O2	S1	F4	107.813
O2	S1	F5	107.813	O3	S1	F4	107.813
O3	S1	F5	107.813	F4	S1	F5	92.213

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

using model chemistry: B3PW91/STO-3G

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	0.873
2	O	-0.297
3	O	-0.297
4	F	-0.139
5	F	-0.139

	x	y	z	Total
	0.000	0.000	-0.512	0.512
CHELPG
AIM
ESP

<r²>	113.672
(<r²>)^1/2	10.662

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

using model chemistry: B3PW91/STO-3G

States and conformations

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