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	hartrees
Energy at 0K	-484.431161
Energy at 298.15K	-484.433335
HF Energy	-484.431161
Nuclear repulsion energy	234.118000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	970	932	99.03
2	A₁	584	562	35.43
3	A₁	498	479	0.31
4	A₁	362	348	28.80
5	A₁	91	88	0.09
6	A₂	365	351	0.00
7	B₁	704	677	161.40
8	B₁	356	343	19.91
9	B₁	193	185	0.30
10	B₂	716	689	263.46
11	B₂	403	388	21.76
12	B₂	346	333	0.92

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.168
O2	0.000	0.000	1.749
F3	0.000	1.758	-0.145
F4	0.000	-1.758	-0.145
F5	1.490	0.000	-0.781
F6	-1.490	0.000	-0.781

	S1	O2	F3	F4	F5	F6
S1		1.5811	1.7860	1.7860	1.7668	1.7668
O2	1.5811		2.5844	2.5844	2.9363	2.9363
F3	1.7860	2.5844		3.5169	2.3912	2.3912
F4	1.7860	2.5844	3.5169		2.3912	2.3912
F5	1.7668	2.9363	2.3912	2.3912		2.9807
F6	1.7668	2.9363	2.3912	2.3912	2.9807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	100.088	O2	S1	F4	100.088
O2	S1	F5	122.485	O2	S1	F6	122.485
F3	S1	F4	159.824	F3	S1	F5	84.602
F3	S1	F6	84.602	F4	S1	F5	84.602
F4	S1	F6	84.602	F5	S1	F6	115.030

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

using model chemistry: B3LYP/LANL2DZ

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	1.567
2	O	-0.401
3	F	-0.317
4	F	-0.317
5	F	-0.266
6	F	-0.266

	x	y	z	Total
	0.000	0.000	0.036	0.036
CHELPG
AIM
ESP

<r²>	157.221
(<r²>)^1/2	12.539

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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