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	hartrees
Energy at 0K	-872.731008
Energy at 298.15K	-872.734704
HF Energy	-872.731008
Nuclear repulsion energy	413.971180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1396	1333	249.52
2	A₁	826	789	54.21
3	A₁	618	590	2.98
4	A₁	568	542	32.28
5	A₁	182	174	0.01
6	A₂	558	533	0.00
7	B₁	956	913	268.49
8	B₁	561	536	26.89
9	B₁	266	254	0.29
10	B₂	869	830	497.03
11	B₂	638	610	44.79
12	B₂	552	527	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.135
O2	0.000	0.000	1.552
F3	0.000	1.587	-0.080
F4	0.000	-1.587	-0.080
F5	1.286	0.000	-0.730
F6	-1.286	0.000	-0.730

	S1	O2	F3	F4	F5	F6
S1		1.4170	1.6017	1.6017	1.5501	1.5501
O2	1.4170		2.2769	2.2769	2.6198	2.6198
F3	1.6017	2.2769		3.1743	2.1437	2.1437
F4	1.6017	2.2769	3.1743		2.1437	2.1437
F5	1.5501	2.6198	2.1437	2.1437		2.5720
F6	1.5501	2.6198	2.1437	2.1437	2.5720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.734	O2	S1	F4	97.734
O2	S1	F5	123.942	O2	S1	F6	123.942
F3	S1	F4	164.531	F3	S1	F5	85.691
F3	S1	F6	85.691	F4	S1	F5	85.691
F4	S1	F6	85.691	F5	S1	F6	112.116

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

using model chemistry: M06-2X/cc-pVTZ

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	1.096
2	O	-0.357
3	F	-0.231
4	F	-0.231
5	F	-0.138
6	F	-0.138

	x	y	z	Total
	0.000	0.000	-1.224	1.224
CHELPG
AIM
ESP

<r²>	128.382
(<r²>)^1/2	11.331

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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