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	hartrees
Energy at 0K	-748.231950
Energy at 298.15K	-748.234884
HF Energy	-748.231950
Nuclear repulsion energy	291.149435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1293	1235	148.01
2	A₁	857	818	101.95
3	A₁	543	518	24.61
4	A₁	376	359	0.08
5	A₂	375	358	0.00
6	B₁	904	863	207.04
7	B₁	531	507	20.05
8	B₂	1531	1462	240.21
9	B₂	533	509	27.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.166
O2	0.000	1.250	0.816
O3	0.000	-1.250	0.816
F4	1.140	0.000	-0.872
F5	-1.140	0.000	-0.872

	S1	O2	O3	F4	F5
S1		1.4084	1.4084	1.5420	1.5420
O2	1.4084		2.4992	2.3897	2.3897
O3	1.4084	2.4992		2.3897	2.3897
F4	1.5420	2.3897	2.3897		2.2799
F5	1.5420	2.3897	2.3897	2.2799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.057	O2	S1	F4	108.098
O2	S1	F5	108.098	O3	S1	F4	108.098
O3	S1	F5	108.098	F4	S1	F5	95.342

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.549
2	O	-0.235
3	O	-0.235
4	F	-0.039
5	F	-0.039

	x	y	z	Total
	0.000	0.000	-1.177	1.177
CHELPG
AIM
ESP

<r²>	93.511
(<r²>)^1/2	9.670

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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