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	hartrees
Energy at 0K	-872.858526
Energy at 298.15K	-872.861813
HF Energy	-872.858526
Nuclear repulsion energy	402.817266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1309	1261	237.45
2	A₁	716	690	65.63
3	A₁	548	528	5.05
4	A₁	515	496	25.03
5	A₁	158	152	0.01
6	A₂	505	486	0.00
7	B₁	832	802	267.54
8	B₁	505	486	20.63
9	B₁	234	226	0.22
10	B₂	788	760	504.86
11	B₂	582	561	20.17
12	B₂	508	490	0.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.145
O2	0.000	0.000	1.587
F3	0.000	1.632	-0.079
F4	0.000	-1.632	-0.079
F5	1.322	0.000	-0.755
F6	-1.322	0.000	-0.755

	S1	O2	F3	F4	F5	F6
S1		1.4420	1.6470	1.6470	1.5999	1.5999
O2	1.4420		2.3322	2.3322	2.6901	2.6901
F3	1.6470	2.3322		3.2632	2.2063	2.2063
F4	1.6470	2.3322	3.2632		2.2063	2.2063
F5	1.5999	2.6901	2.2063	2.2063		2.6446
F6	1.5999	2.6901	2.2063	2.2063	2.6446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.833	O2	S1	F4	97.833
O2	S1	F5	124.260	O2	S1	F6	124.260
F3	S1	F4	164.334	F3	S1	F5	85.600
F3	S1	F6	85.600	F4	S1	F5	85.600
F4	S1	F6	85.600	F5	S1	F6	111.480

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

using model chemistry: B3LYPultrafine/TZVP

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	1.085
2	O	-0.268
3	F	-0.257
4	F	-0.257
5	F	-0.151
6	F	-0.151

	x	y	z	Total
	0.000	0.000	-0.806	0.806
CHELPG
AIM
ESP

<r²>	134.894
(<r²>)^1/2	11.614

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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