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	hartrees
Energy at 0K	-748.097919
Energy at 298.15K	-748.100793
HF Energy	-748.097919
Nuclear repulsion energy	287.307336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1264	1203	188.49
2	A₁	862	821	134.82
3	A₁	534	508	34.61
4	A₁	364	346	0.01
5	A₂	360	343	0.00
6	B₁	896	853	271.04
7	B₁	519	494	29.36
8	B₂	1490	1419	303.77
9	B₂	520	495	38.92

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.175
O2	0.000	1.265	0.825
O3	0.000	-1.265	0.825
F4	1.153	0.000	-0.889
F5	-1.153	0.000	-0.889

	S1	O2	O3	F4	F5
S1		1.4222	1.4222	1.5686	1.5686
O2	1.4222		2.5291	2.4222	2.4222
O3	1.4222	2.5291		2.4222	2.4222
F4	1.5686	2.4222	2.4222		2.3065
F5	1.5686	2.4222	2.4222	2.3065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.532	O2	S1	F4	108.071
O2	S1	F5	108.071	O3	S1	F4	108.071
O3	S1	F5	108.071	F4	S1	F5	94.648

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

using model chemistry: M06-2X/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	1.820
2	O	-0.524
3	O	-0.524
4	F	-0.386
5	F	-0.386

	x	y	z	Total
	0.000	0.000	-0.877	0.877
CHELPG
AIM
ESP

<r²>	96.533
(<r²>)^1/2	9.825

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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