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	hartrees
Energy at 0K	-747.962127
Energy at 298.15K	-747.963722
HF Energy	-747.962127
Nuclear repulsion energy	252.015592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	880	873	74.13
2	A₁	601	597	51.20
3	A₁	328	325	12.44
4	A₁	200	199	0.34
5	A₂	214	213	0.00
6	B₁	652	647	111.51
7	B₁	302	300	13.17
8	B₂	1002	994	73.19
9	B₂	316	314	18.22

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.203
O2	0.000	1.433	0.944
O3	0.000	-1.433	0.944
F4	1.317	0.000	-1.020
F5	-1.317	0.000	-1.020

	S1	O2	O3	F4	F5
S1		1.6128	1.6128	1.7973	1.7973
O2	1.6128		2.8656	2.7645	2.7645
O3	1.6128	2.8656		2.7645	2.7645
F4	1.7973	2.7645	2.7645		2.6336
F5	1.7973	2.7645	2.7645	2.6336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.343	O2	S1	F4	108.207
O2	S1	F5	108.207	O3	S1	F4	108.207
O3	S1	F5	108.207	F4	S1	F5	94.218

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

using model chemistry: BLYP/6-31G

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	1.290
2	O	-0.390
3	O	-0.390
4	F	-0.255
5	F	-0.255

	x	y	z	Total
	0.000	0.000	0.240	0.240
CHELPG
AIM
ESP

<r²>	119.864
(<r²>)^1/2	10.948

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

using model chemistry: BLYP/6-31G

States and conformations

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