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	hartrees
Energy at 0K	-358.127956
Energy at 298.15K	-358.129986
HF Energy	-358.127956
Nuclear repulsion energy	153.548675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	874	787	179.07
2	A₁	676	609	0.60
3	A₁	388	349	45.94
4	A₁	285	257	2.71
5	A₂	272	245	0.00
6	B₁	843	758	179.84
7	B₁	342	308	41.88
8	B₂	819	737	23.93
9	B₂	380	342	55.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.180
O2	0.000	1.418	0.904
O3	0.000	-1.418	0.904
F4	1.213	0.000	-0.963
F5	-1.213	0.000	-0.963

	S1	O2	O3	F4	F5
S1		1.5921	1.5921	1.6666	1.6666
O2	1.5921		2.8360	2.6394	2.6394
O3	1.5921	2.8360		2.6394	2.6394
F4	1.6666	2.6394	2.6394		2.4266
F5	1.6666	2.6394	2.6394	2.4266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.909	O2	S1	F4	108.163
O2	S1	F5	108.163	O3	S1	F4	108.163
O3	S1	F5	108.163	F4	S1	F5	93.440

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

using model chemistry: HF/LANL2DZ

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	1.892
2	O	-0.563
3	O	-0.563
4	F	-0.383
5	F	-0.383

	x	y	z	Total
	0.000	0.000	-0.449	0.449
CHELPG
AIM
ESP

<r²>	111.869
(<r²>)^1/2	10.577

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

using model chemistry: HF/LANL2DZ

States and conformations

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