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	hartrees
Energy at 0K	-88.970197
Energy at 298.15K	-88.973297
HF Energy	-88.970197
Nuclear repulsion energy	112.384367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1339	1210	234.60
2	A₁	934	844	144.48
3	A₁	585	529	51.16
4	A₁	405	365	0.13
5	A₂	397	359	0.00
6	B₁	966	873	310.69
7	B₁	576	521	43.57
8	B₂	1572	1420	414.04
9	B₂	572	517	50.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.165
O2	0.000	1.248	0.814
O3	0.000	-1.248	0.814
F4	1.135	0.000	-0.870
F5	-1.135	0.000	-0.870

	S1	O2	O3	F4	F5
S1		1.4066	1.4066	1.5360	1.5360
O2	1.4066		2.4962	2.3834	2.3834
O3	1.4066	2.4962		2.3834	2.3834
F4	1.5360	2.3834	2.3834		2.2694
F5	1.5360	2.3834	2.3834	2.2694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.080	O2	S1	F4	108.108
O2	S1	F5	108.108	O3	S1	F4	108.108
O3	S1	F5	108.108	F4	S1	F5	95.247

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

using model chemistry: HF/CEP-121G*

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	1.316
2	O	-0.416
3	O	-0.416
4	F	-0.242
5	F	-0.242

	x	y	z	Total
	0.000	0.000	-1.221	1.221
CHELPG
AIM
ESP

<r²>	76.387
(<r²>)^1/2	8.740

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

using model chemistry: HF/CEP-121G*

States and conformations

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