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	hartrees
Energy at 0K	-872.912815
Energy at 298.15K	-872.916226
HF Energy	-872.912815
Nuclear repulsion energy	408.226619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1338	1291	211.61
2	A₁	751	725	53.85
3	A₁	568	548	3.16
4	A₁	529	511	22.12
5	A₁	159	153	0.00
6	A₂	522	504	0.00
7	B₁	874	844	241.12
8	B₁	522	504	16.43
9	B₁	248	239	0.05
10	B₂	800	772	456.74
11	B₂	596	576	26.81
12	B₂	516	498	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.140
O2	0.000	0.000	1.568
F3	0.000	1.609	-0.086
F4	0.000	-1.609	-0.086
F5	1.310	0.000	-0.736
F6	-1.310	0.000	-0.736

	S1	O2	F3	F4	F5	F6
S1		1.4285	1.6252	1.6252	1.5755	1.5755
O2	1.4285		2.3078	2.3078	2.6505	2.6505
F3	1.6252	2.3078		3.2189	2.1745	2.1745
F4	1.6252	2.3078	3.2189		2.1745	2.1745
F5	1.5755	2.6505	2.1745	2.1745		2.6191
F6	1.5755	2.6505	2.1745	2.1745	2.6191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.975	O2	S1	F4	97.975
O2	S1	F5	123.777	O2	S1	F6	123.777
F3	S1	F4	164.050	F3	S1	F5	85.576
F3	S1	F6	85.576	F4	S1	F5	85.576
F4	S1	F6	85.576	F5	S1	F6	112.447

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

using model chemistry: TPSSh/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	2.058
2	O	-0.556
3	F	-0.430
4	F	-0.430
5	F	-0.321
6	F	-0.321

	x	y	z	Total
	0.000	0.000	-1.019	1.019
CHELPG
AIM
ESP

<r²>	131.357
(<r²>)^1/2	11.461

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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