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	hartrees
Energy at 0K	-872.502377
Energy at 298.15K	-872.504563
HF Energy	-872.502377
Nuclear repulsion energy	369.878114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	994	955	103.96
2	A₁	575	553	37.56
3	A₁	482	464	0.33
4	A₁	367	353	28.23
5	A₁	87	83	0.03
6	A₂	370	356	0.00
7	B₁	694	667	169.56
8	B₁	366	352	19.22
9	B₁	205	197	0.15
10	B₂	694	667	267.31
11	B₂	411	395	20.28
12	B₂	347	333	0.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.164
O2	0.000	0.000	1.729
F3	0.000	1.751	-0.163
F4	0.000	-1.751	-0.163
F5	1.501	0.000	-0.751
F6	-1.501	0.000	-0.751

	S1	O2	F3	F4	F5	F6
S1		1.5651	1.7812	1.7812	1.7586	1.7586
O2	1.5651		2.5782	2.5782	2.8998	2.8998
F3	1.7812	2.5782		3.5017	2.3803	2.3803
F4	1.7812	2.5782	3.5017		2.3803	2.3803
F5	1.7586	2.8998	2.3803	2.3803		3.0029
F6	1.7586	2.8998	2.3803	2.3803	3.0029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	100.591	O2	S1	F4	100.591
O2	S1	F5	121.378	O2	S1	F6	121.378
F3	S1	F4	158.818	F3	S1	F5	84.508
F3	S1	F6	84.508	F4	S1	F5	84.508
F4	S1	F6	84.508	F5	S1	F6	117.244

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

using model chemistry: B3LYP/SDD

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	1.656
2	O	-0.429
3	F	-0.330
4	F	-0.330
5	F	-0.284
6	F	-0.284

	x	y	z	Total
	0.000	0.000	0.034	0.034
CHELPG
AIM
ESP

<r²>	156.741
(<r²>)^1/2	12.520

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

using model chemistry: B3LYP/SDD

States and conformations

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