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	hartrees
Energy at 0K	-748.495231
Energy at 298.15K	-748.498127
HF Energy	-748.495231
Nuclear repulsion energy	289.867556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1262	1215	167.17
2	A₁	824	793	129.03
3	A₁	538	518	24.89
4	A₁	373	359	0.02
5	A₂	373	359	0.00
6	B₁	859	827	252.89
7	B₁	525	505	19.45
8	B₂	1498	1442	279.63
9	B₂	529	510	31.59

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.163
O2	0.000	1.246	0.816
O3	0.000	-1.246	0.816
F4	1.146	0.000	-0.870
F5	-1.146	0.000	-0.870

	S1	O2	O3	F4	F5
S1		1.4065	1.4065	1.5434	1.5434
O2	1.4065		2.4912	2.3897	2.3897
O3	1.4065	2.4912		2.3897	2.3897
F4	1.5434	2.3897	2.3897		2.2925
F5	1.5434	2.3897	2.3897	2.2925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.649	O2	S1	F4	108.121
O2	S1	F5	108.121	O3	S1	F4	108.121
O3	S1	F5	108.121	F4	S1	F5	95.922

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

using model chemistry: B3LYP/Def2TZVPP

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	1.043
2	O	-0.352
3	O	-0.352
4	F	-0.170
5	F	-0.170

	x	y	z	Total
	0.000	0.000	-1.035	1.035
CHELPG
AIM
ESP

<r²>	94.863
(<r²>)^1/2	9.740

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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