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	hartrees
Energy at 0K	-748.453482
Energy at 298.15K	-748.456321
HF Energy	-748.453482
Nuclear repulsion energy	287.380525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1241	1199	157.71
2	A₁	809	782	126.52
3	A₁	523	506	23.66
4	A₁	362	350	0.01
5	A₂	361	349	0.00
6	B₁	845	817	242.09
7	B₁	509	492	18.50
8	B₂	1473	1424	256.26
9	B₂	516	499	31.26

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.172
O2	0.000	1.262	0.826
O3	0.000	-1.262	0.826
F4	1.157	0.000	-0.887
F5	-1.157	0.000	-0.887

	S1	O2	O3	F4	F5
S1		1.4213	1.4213	1.5681	1.5681
O2	1.4213		2.5237	2.4215	2.4215
O3	1.4213	2.5237		2.4215	2.4215
F4	1.5681	2.4215	2.4215		2.3142
F5	1.5681	2.4215	2.4215	2.3142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.196	O2	S1	F4	108.096
O2	S1	F5	108.096	O3	S1	F4	108.096
O3	S1	F5	108.096	F4	S1	F5	95.106

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

using model chemistry: B3LYP/cc-pVTZ

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	1.100
2	O	-0.362
3	O	-0.362
4	F	-0.188
5	F	-0.188

	x	y	z	Total
	0.000	0.000	-0.959	0.959
CHELPG
AIM
ESP

<r²>	96.125
(<r²>)^1/2	9.804

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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