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	hartrees
Energy at 0K	-872.138737
Energy at 298.15K	-872.142165
HF Energy	-872.138737
Nuclear repulsion energy	406.925057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1363	1301	237.61
2	A₁	762	727	58.91
3	A₁	590	564	3.01
4	A₁	529	505	27.99
5	A₁	159	152	0.01
6	A₂	520	496	0.00
7	B₁	894	854	267.72
8	B₁	524	500	21.73
9	B₁	256	244	0.05
10	B₂	841	803	505.74
11	B₂	594	567	32.38
12	B₂	511	488	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.142
O2	0.000	0.000	1.573
F3	0.000	1.611	-0.091
F4	0.000	-1.611	-0.091
F5	1.320	0.000	-0.734
F6	-1.320	0.000	-0.734

	S1	O2	F3	F4	F5	F6
S1		1.4311	1.6277	1.6277	1.5844	1.5844
O2	1.4311		2.3166	2.3166	2.6586	2.6586
F3	1.6277	2.3166		3.2217	2.1794	2.1794
F4	1.6277	2.3166	3.2217		2.1794	2.1794
F5	1.5844	2.6586	2.1794	2.1794		2.6393
F6	1.5844	2.6586	2.1794	2.1794	2.6393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.255	O2	S1	F4	98.255
O2	S1	F5	123.601	O2	S1	F6	123.601
F3	S1	F4	163.490	F3	S1	F5	85.443
F3	S1	F6	85.443	F4	S1	F5	85.443
F4	S1	F6	85.443	F5	S1	F6	112.798

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

using model chemistry: HSEh1PBE/6-31+G**

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	2.085
2	O	-0.515
3	F	-0.432
4	F	-0.432
5	F	-0.353
6	F	-0.353

	x	y	z	Total
	0.000	0.000	-0.929	0.929
CHELPG
AIM
ESP

<r²>	132.341
(<r²>)^1/2	11.504

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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