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	hartrees
Energy at 0K	-744.343811
Energy at 298.15K	-744.346771
HF Energy	-744.343811
Nuclear repulsion energy	288.209060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1298	1230	191.31
2	A₁	927	878	72.74
3	A₁	533	505	43.54
4	A₁	375	356	0.00
5	A₂	380	360	0.00
6	B₁	1008	955	217.64
7	B₁	524	497	41.39
8	B₂	1514	1434	253.40
9	B₂	536	507	41.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.171
O2	0.000	1.263	0.827
O3	0.000	-1.263	0.827
F4	1.144	0.000	-0.887
F5	-1.144	0.000	-0.887

	S1	O2	O3	F4	F5
S1		1.4236	1.4236	1.5576	1.5576
O2	1.4236		2.5263	2.4168	2.4168
O3	1.4236	2.5263		2.4168	2.4168
F4	1.5576	2.4168	2.4168		2.2877
F5	1.5576	2.4168	2.4168	2.2877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.074	O2	S1	F4	108.242
O2	S1	F5	108.242	O3	S1	F4	108.242
O3	S1	F5	108.242	F4	S1	F5	94.508

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

using model chemistry: M06-2X/3-21G*

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	1.350
2	O	-0.413
3	O	-0.413
4	F	-0.262
5	F	-0.262

	x	y	z	Total
	0.000	0.000	-0.971	0.971
CHELPG
AIM
ESP

<r²>	95.601
(<r²>)^1/2	9.778

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

using model chemistry: M06-2X/3-21G*

States and conformations

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