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	hartrees
Energy at 0K	-872.382178
Energy at 298.15K	-872.385732
HF Energy	-872.382178
Nuclear repulsion energy	411.546043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1379	1327	228.63
2	A₁	785	755	54.47
3	A₁	589	567	3.23
4	A₁	549	528	25.04
5	A₁	168	162	0.00
6	A₂	541	520	0.00
7	B₁	910	875	250.07
8	B₁	543	523	19.83
9	B₁	258	249	0.10
10	B₂	827	796	470.18
11	B₂	619	595	33.17
12	B₂	535	515	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.137
O2	0.000	0.000	1.557
F3	0.000	1.597	-0.084
F4	0.000	-1.597	-0.084
F5	1.299	0.000	-0.729
F6	-1.299	0.000	-0.729

	S1	O2	F3	F4	F5	F6
S1		1.4200	1.6122	1.6122	1.5608	1.5608
O2	1.4200		2.2896	2.2896	2.6289	2.6289
F3	1.6122	2.2896		3.1940	2.1571	2.1571
F4	1.6122	2.2896	3.1940		2.1571	2.1571
F5	1.5608	2.6289	2.1571	2.1571		2.5975
F6	1.5608	2.6289	2.1571	2.1571	2.5975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.866	O2	S1	F4	97.866
O2	S1	F5	123.685	O2	S1	F6	123.685
F3	S1	F4	164.268	F3	S1	F5	85.647
F3	S1	F6	85.647	F4	S1	F5	85.647
F4	S1	F6	85.647	F5	S1	F6	112.629

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	2.101
2	O	-0.568
3	F	-0.439
4	F	-0.439
5	F	-0.328
6	F	-0.328

	x	y	z	Total
	0.000	0.000	-1.138	1.138
CHELPG
AIM
ESP

<r²>	129.642
(<r²>)^1/2	11.386

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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