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	hartrees
Energy at 0K	-747.959887
Energy at 298.15K	-747.962674
HF Energy	-747.959887
Nuclear repulsion energy	285.210190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1232	1183	174.80
2	A₁	805	772	143.82
3	A₁	507	486	28.99
4	A₁	352	338	0.07
5	A₂	354	340	0.00
6	B₁	837	804	266.47
7	B₁	501	481	21.09
8	B₂	1478	1419	300.70
9	B₂	507	487	37.51

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.179
O2	0.000	1.276	0.825
O3	0.000	-1.276	0.825
F4	1.166	0.000	-0.892
F5	-1.166	0.000	-0.892

	S1	O2	O3	F4	F5
S1		1.4299	1.4299	1.5832	1.5832
O2	1.4299		2.5515	2.4360	2.4360
O3	1.4299	2.5515		2.4360	2.4360
F4	1.5832	2.4360	2.4360		2.3329
F5	1.5832	2.4360	2.4360	2.3329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.294	O2	S1	F4	107.783
O2	S1	F5	107.783	O3	S1	F4	107.783
O3	S1	F5	107.783	F4	S1	F5	94.914

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

using model chemistry: HSEh1PBE/TZVP

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	0.918
2	O	-0.284
3	O	-0.284
4	F	-0.175
5	F	-0.175

	x	y	z	Total
	0.000	0.000	-0.676	0.676
CHELPG
AIM
ESP

<r²>	97.641
(<r²>)^1/2	9.881

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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