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	hartrees
Energy at 0K	-872.292075
Energy at 298.15K	-872.295672
HF Energy	-871.863313
Nuclear repulsion energy	413.101363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1379	1317	194.68
2	A₁	780	745	46.57
3	A₁	602	575	3.55
4	A₁	559	534	22.60
5	A₁	177	169	0.00
6	A₂	550	525	0.00
7	B₁	917	876	216.88
8	B₁	553	528	18.43
9	B₁	262	250	0.25
10	B₂	856	817	404.67
11	B₂	626	598	26.39
12	B₂	543	519	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.136
O2	0.000	0.000	1.555
F3	0.000	1.588	-0.083
F4	0.000	-1.588	-0.083
F5	1.293	0.000	-0.729
F6	-1.293	0.000	-0.729

	S1	O2	F3	F4	F5	F6
S1		1.4195	1.6028	1.6028	1.5558	1.5558
O2	1.4195		2.2812	2.2812	2.6250	2.6250
F3	1.6028	2.2812		3.1756	2.1475	2.1475
F4	1.6028	2.2812	3.1756		2.1475	2.1475
F5	1.5558	2.6250	2.1475	2.1475		2.5867
F6	1.5558	2.6250	2.1475	2.1475	2.5867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.834	O2	S1	F4	97.834
O2	S1	F5	123.769	O2	S1	F6	123.769
F3	S1	F4	164.331	F3	S1	F5	85.655
F3	S1	F6	85.655	F4	S1	F5	85.655
F4	S1	F6	85.655	F5	S1	F6	112.462

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

using model chemistry: B2PLYP/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	0.666
2	O	-0.230
3	F	-0.186
4	F	-0.186
5	F	-0.032
6	F	-0.032

	x	y	z	Total
	0.000	0.000	-1.229	1.229
CHELPG
AIM
ESP

<r²>	128.154
(<r²>)^1/2	11.321

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

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

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