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	hartrees
Energy at 0K	-738.597202
Energy at 298.15K	-738.598669
HF Energy	-738.597202
Nuclear repulsion energy	260.395898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	955	955	62.66
2	A₁	737	737	9.20
3	A₁	303	303	18.41
4	A₁	213	213	4.24
5	A₂	228	228	0.00
6	B₁	786	786	58.23
7	B₁	271	271	21.61
8	B₂	1089	1089	36.66
9	B₂	329	329	15.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.208
O2	0.000	1.440	0.899
O3	0.000	-1.440	0.899
F4	1.225	0.000	-0.984
F5	-1.225	0.000	-0.984

	S1	O2	O3	F4	F5
S1		1.5970	1.5970	1.7088	1.7088
O2	1.5970		2.8791	2.6680	2.6680
O3	1.5970	2.8791		2.6680	2.6680
F4	1.7088	2.6680	2.6680		2.4500
F5	1.7088	2.6680	2.6680	2.4500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	128.691	O2	S1	F4	107.569
O2	S1	F5	107.569	O3	S1	F4	107.569
O3	S1	F5	107.569	F4	S1	F5	91.591

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

using model chemistry: M06-2X/STO-3G

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	0.978
2	O	-0.337
3	O	-0.337
4	F	-0.152
5	F	-0.152

	x	y	z	Total
	0.000	0.000	-0.809	0.809
CHELPG
AIM
ESP

<r²>	110.311
(<r²>)^1/2	10.503

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

using model chemistry: M06-2X/STO-3G

States and conformations

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