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	hartrees
Energy at 0K	-748.219595
Energy at 298.15K	-748.222360
HF Energy	-748.219595
Nuclear repulsion energy	283.744772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1235	1187	171.46
2	A₁	827	795	115.48
3	A₁	503	484	29.47
4	A₁	345	332	0.00
5	A₂	344	330	0.00
6	B₁	867	833	239.47
7	B₁	495	476	24.40
8	B₂	1464	1407	261.76
9	B₂	494	474	34.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.181
O2	0.000	1.280	0.832
O3	0.000	-1.280	0.832
F4	1.169	0.000	-0.901
F5	-1.169	0.000	-0.901

	S1	O2	O3	F4	F5
S1		1.4357	1.4357	1.5933	1.5933
O2	1.4357		2.5594	2.4513	2.4513
O3	1.4357	2.5594		2.4513	2.4513
F4	1.5933	2.4513	2.4513		2.3382
F5	1.5933	2.4513	2.4513	2.3382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.081	O2	S1	F4	107.940
O2	S1	F5	107.940	O3	S1	F4	107.940
O3	S1	F5	107.940	F4	S1	F5	94.404

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

using model chemistry: B1B95/cc-pVDZ

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	1.162
2	O	-0.345
3	O	-0.345
4	F	-0.236
5	F	-0.236

	x	y	z	Total
	0.000	0.000	-0.576	0.576
CHELPG
AIM
ESP

<r²>	97.867
(<r²>)^1/2	9.893

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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