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	hartrees
Energy at 0K	-872.323407
Energy at 298.15K	-872.326978
HF Energy	-872.323407
Nuclear repulsion energy	411.962841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1382	1329	229.98
2	A₁	790	759	54.07
3	A₁	593	570	3.13
4	A₁	552	530	25.31
5	A₁	169	162	0.00
6	A₂	544	523	0.00
7	B₁	916	881	250.05
8	B₁	546	525	20.14
9	B₁	259	249	0.11
10	B₂	833	801	469.92
11	B₂	621	597	34.23
12	B₂	537	517	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.136
O2	0.000	0.000	1.556
F3	0.000	1.595	-0.084
F4	0.000	-1.595	-0.084
F5	1.297	0.000	-0.729
F6	-1.297	0.000	-0.729

	S1	O2	F3	F4	F5	F6
S1		1.4198	1.6101	1.6101	1.5590	1.5590
O2	1.4198		2.2874	2.2874	2.6271	2.6271
F3	1.6101	2.2874		3.1901	2.1548	2.1548
F4	1.6101	2.2874	3.1901		2.1548	2.1548
F5	1.5590	2.6271	2.1548	2.1548		2.5945
F6	1.5590	2.6271	2.1548	2.1548	2.5945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.842	O2	S1	F4	97.842
O2	S1	F5	123.683	O2	S1	F6	123.683
F3	S1	F4	164.316	F3	S1	F5	85.660
F3	S1	F6	85.660	F4	S1	F5	85.660
F4	S1	F6	85.660	F5	S1	F6	112.634

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

using model chemistry: PBE1PBE/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	2.070
2	O	-0.553
3	F	-0.435
4	F	-0.435
5	F	-0.323
6	F	-0.323

	x	y	z	Total
	0.000	0.000	-1.158	1.158
CHELPG
AIM
ESP

<r²>	129.407
(<r²>)^1/2	11.376

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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