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	hartrees
Energy at 0K	-869.555200
Energy at 298.15K	-869.558729
HF Energy	-869.555200
Nuclear repulsion energy	414.272180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1385	1363	184.38
2	A₁	781	768	42.40
3	A₁	609	599	2.28
4	A₁	546	538	20.67
5	A₁	162	159	0.00
6	A₂	540	532	0.00
7	B₁	916	901	203.87
8	B₁	541	532	16.92
9	B₁	251	247	0.27
10	B₂	871	857	371.04
11	B₂	613	603	27.15
12	B₂	530	522	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.135
O2	0.000	0.000	1.555
F3	0.000	1.578	-0.087
F4	0.000	-1.578	-0.087
F5	1.294	0.000	-0.725
F6	-1.294	0.000	-0.725

	S1	O2	F3	F4	F5	F6
S1		1.4199	1.5933	1.5933	1.5541	1.5541
O2	1.4199		2.2769	2.2769	2.6217	2.6217
F3	1.5933	2.2769		3.1556	2.1384	2.1384
F4	1.5933	2.2769	3.1556		2.1384	2.1384
F5	1.5541	2.6217	2.1384	2.1384		2.5890
F6	1.5541	2.6217	2.1384	2.1384	2.5890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.999	O2	S1	F4	97.999
O2	S1	F5	123.598	O2	S1	F6	123.598
F3	S1	F4	164.002	F3	S1	F5	85.584
F3	S1	F6	85.584	F4	S1	F5	85.584
F4	S1	F6	85.584	F5	S1	F6	112.804

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.277
2	O	-0.177
3	F	-0.093
4	F	-0.093
5	F	0.043
6	F	0.043

	x	y	z	Total
	0.000	0.000	-1.230	1.230
CHELPG
AIM
ESP

<r²>	127.297
(<r²>)^1/2	11.283

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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