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	hartrees
Energy at 0K	-738.616687
Energy at 298.15K	-738.618072
HF Energy	-738.616687
Nuclear repulsion energy	257.176062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	945	835	54.08
2	A₁	691	610	18.25
3	A₁	295	260	15.92
4	A₁	214	189	0.61
5	A₂	215	190	0.00
6	B₁	736	650	66.22
7	B₁	278	245	15.65
8	B₂	1076	950	33.64
9	B₂	312	276	13.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.212
O2	0.000	1.436	0.916
O3	0.000	-1.436	0.916
F4	1.255	0.000	-1.002
F5	-1.255	0.000	-1.002

	S1	O2	O3	F4	F5
S1		1.5995	1.5995	1.7462	1.7462
O2	1.5995		2.8725	2.7050	2.7050
O3	1.5995	2.8725		2.7050	2.7050
F4	1.7462	2.7050	2.7050		2.5104
F5	1.7462	2.7050	2.7050	2.5104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	127.771	O2	S1	F4	107.818
O2	S1	F5	107.818	O3	S1	F4	107.818
O3	S1	F5	107.818	F4	S1	F5	91.916

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

using model chemistry: B1B95/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	0.901
2	O	-0.306
3	O	-0.306
4	F	-0.144
5	F	-0.144

	x	y	z	Total
	0.000	0.000	-0.561	0.561
CHELPG
AIM
ESP

<r²>	112.486
(<r²>)^1/2	10.606

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

using model chemistry: B1B95/STO-3G

States and conformations

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