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	hartrees
Energy at 0K	-872.312886
Energy at 298.15K	-872.316486
HF Energy	-872.312886
Nuclear repulsion energy	412.319615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1392	1338	232.66
2	A₁	795	764	55.58
3	A₁	601	578	3.34
4	A₁	556	534	27.01
5	A₁	170	163	0.00
6	A₂	548	526	0.00
7	B₁	924	888	260.34
8	B₁	550	528	21.06
9	B₁	260	250	0.14
10	B₂	851	817	479.79
11	B₂	626	601	33.74
12	B₂	541	520	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.136
O2	0.000	0.000	1.555
F3	0.000	1.593	-0.083
F4	0.000	-1.593	-0.083
F5	1.296	0.000	-0.729
F6	-1.296	0.000	-0.729

	S1	O2	F3	F4	F5	F6
S1		1.4196	1.6076	1.6076	1.5583	1.5583
O2	1.4196		2.2847	2.2847	2.6266	2.6266
F3	1.6076	2.2847		3.1853	2.1528	2.1528
F4	1.6076	2.2847	3.1853		2.1528	2.1528
F5	1.5583	2.6266	2.1528	2.1528		2.5924
F6	1.5583	2.6266	2.1528	2.1528	2.5924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.812	O2	S1	F4	97.812
O2	S1	F5	123.713	O2	S1	F6	123.713
F3	S1	F4	164.376	F3	S1	F5	85.673
F3	S1	F6	85.673	F4	S1	F5	85.673
F4	S1	F6	85.673	F5	S1	F6	112.573

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

using model chemistry: PBE1PBE/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	1.057
2	O	-0.332
3	F	-0.228
4	F	-0.228
5	F	-0.135
6	F	-0.135

	x	y	z	Total
	0.000	0.000	-1.184	1.184
CHELPG
AIM
ESP

<r²>	129.000
(<r²>)^1/2	11.358

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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