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	hartrees
Energy at 0K	-748.318832
Energy at 298.15K	-748.321629
HF Energy	-748.318832
Nuclear repulsion energy	285.502218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1235	1178	176.18
2	A₁	808	771	143.93
3	A₁	509	485	29.49
4	A₁	353	337	0.08
5	A₂	355	339	0.00
6	B₁	841	802	267.57
7	B₁	503	479	21.56
8	B₂	1480	1412	303.20
9	B₂	509	486	37.94

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.178
O2	0.000	1.275	0.824
O3	0.000	-1.275	0.824
F4	1.165	0.000	-0.891
F5	-1.165	0.000	-0.891

	S1	O2	O3	F4	F5
S1		1.4288	1.4288	1.5812	1.5812
O2	1.4288		2.5491	2.4335	2.4335
O3	1.4288	2.5491		2.4335	2.4335
F4	1.5812	2.4335	2.4335		2.3305
F5	1.5812	2.4335	2.4335	2.3305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.255	O2	S1	F4	107.790
O2	S1	F5	107.790	O3	S1	F4	107.790
O3	S1	F5	107.790	F4	S1	F5	94.946

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

using model chemistry: mPW1PW91/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	0.932
2	O	-0.289
3	O	-0.289
4	F	-0.177
5	F	-0.177

	x	y	z	Total
	0.000	0.000	-0.695	0.695
CHELPG
AIM
ESP

<r²>	97.436
(<r²>)^1/2	9.871

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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