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	hartrees
Energy at 0K	-122.723646
Energy at 298.15K	-122.727038
HF Energy	-122.723646
Nuclear repulsion energy	169.424451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1344	1344	241.26
2	A₁	767	767	58.79
3	A₁	585	585	2.40
4	A₁	531	531	30.27
5	A₁	162	162	0.03
6	A₂	518	518	0.00
7	B₁	897	897	267.91
8	B₁	521	521	23.99
9	B₁	243	243	0.29
10	B₂	835	835	500.91
11	B₂	597	597	33.60
12	B₂	518	518	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.143
O2	0.000	0.000	1.584
F3	0.000	1.618	-0.081
F4	0.000	-1.618	-0.081
F5	1.313	0.000	-0.750
F6	-1.313	0.000	-0.750

	S1	O2	F3	F4	F5	F6
S1		1.4409	1.6336	1.6336	1.5883	1.5883
O2	1.4409		2.3214	2.3214	2.6781	2.6781
F3	1.6336	2.3214		3.2365	2.1891	2.1891
F4	1.6336	2.3214	3.2365		2.1891	2.1891
F5	1.5883	2.6781	2.1891	2.1891		2.6270
F6	1.5883	2.6781	2.1891	2.1891	2.6270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.864	O2	S1	F4	97.864
O2	S1	F5	124.210	O2	S1	F6	124.210
F3	S1	F4	164.271	F3	S1	F5	85.588
F3	S1	F6	85.588	F4	S1	F5	85.588
F4	S1	F6	85.588	F5	S1	F6	111.581

All results from a given calculation for SOF₄ (Sulfur tetrafluoride oxide)

using model chemistry: wB97X-D/CEP-31G*

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	0.886
2	O	-0.224
3	F	-0.212
4	F	-0.212
5	F	-0.119
6	F	-0.119

	x	y	z	Total
	0.000	0.000	-1.089	1.089
CHELPG
AIM
ESP

<r²>	107.644
(<r²>)^1/2	10.375

All results from a given calculation for SOF4 (Sulfur tetrafluoride oxide)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for SOF₄ (Sulfur tetrafluoride oxide)