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	hartrees
Energy at 0K	-872.315975
Energy at 298.15K	-872.319193
HF Energy	-872.315975
Nuclear repulsion energy	403.070580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1300	1285	192.73
2	A₁	706	698	55.04
3	A₁	535	529	2.83
4	A₁	505	499	17.54
5	A₁	145	144	0.00
6	A₂	500	494	0.00
7	B₁	824	814	234.30
8	B₁	500	494	12.08
9	B₁	238	235	0.01
10	B₂	757	748	437.62
11	B₂	570	563	16.61
12	B₂	493	488	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.143
O2	0.000	0.000	1.583
F3	0.000	1.630	-0.092
F4	0.000	-1.630	-0.092
F5	1.333	0.000	-0.739
F6	-1.333	0.000	-0.739

	S1	O2	F3	F4	F5	F6
S1		1.4400	1.6466	1.6466	1.5984	1.5984
O2	1.4400		2.3369	2.3369	2.6774	2.6774
F3	1.6466	2.3369		3.2596	2.2028	2.2028
F4	1.6466	2.3369	3.2596		2.2028	2.2028
F5	1.5984	2.6774	2.2028	2.2028		2.6661
F6	1.5984	2.6774	2.2028	2.2028	2.6661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.199	O2	S1	F4	98.199
O2	S1	F5	123.488	O2	S1	F6	123.488
F3	S1	F4	163.603	F3	S1	F5	85.487
F3	S1	F6	85.487	F4	S1	F5	85.487
F4	S1	F6	85.487	F5	S1	F6	113.025

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

using model chemistry: PBEPBEultrafine/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	1.997
2	O	-0.537
3	F	-0.417
4	F	-0.417
5	F	-0.313
6	F	-0.313

	x	y	z	Total
	0.000	0.000	-0.884	0.884
CHELPG
AIM
ESP

<r²>	134.330
(<r²>)^1/2	11.590

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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