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	hartrees
Energy at 0K	-872.303442
Energy at 298.15K	-872.306703
HF Energy	-872.303442
Nuclear repulsion energy	403.630358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1310	1301	193.12
2	A₁	713	708	55.42
3	A₁	547	543	2.91
4	A₁	510	506	18.91
5	A₁	146	145	0.00
6	A₂	505	501	0.00
7	B₁	835	829	239.38
8	B₁	505	501	12.74
9	B₁	239	237	0.02
10	B₂	780	775	436.05
11	B₂	575	571	16.97
12	B₂	498	495	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.142
O2	0.000	0.000	1.582
F3	0.000	1.626	-0.091
F4	0.000	-1.626	-0.091
F5	1.332	0.000	-0.739
F6	-1.332	0.000	-0.739

	S1	O2	F3	F4	F5	F6
S1		1.4398	1.6424	1.6424	1.5971	1.5971
O2	1.4398		2.3331	2.3331	2.6759	2.6759
F3	1.6424	2.3331		3.2514	2.1992	2.1992
F4	1.6424	2.3331	3.2514		2.1992	2.1992
F5	1.5971	2.6759	2.1992	2.1992		2.6643
F6	1.5971	2.6759	2.1992	2.1992	2.6643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.178	O2	S1	F4	98.178
O2	S1	F5	123.479	O2	S1	F6	123.479
F3	S1	F4	163.644	F3	S1	F5	85.499
F3	S1	F6	85.499	F4	S1	F5	85.499
F4	S1	F6	85.499	F5	S1	F6	113.042

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

using model chemistry: PBEPBEultrafine/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	0.980
2	O	-0.298
3	F	-0.212
4	F	-0.212
5	F	-0.129
6	F	-0.129

	x	y	z	Total
	0.000	0.000	-0.932	0.932
CHELPG
AIM
ESP

<r²>	133.670
(<r²>)^1/2	11.562

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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