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	hartrees
Energy at 0K	-872.056433
Energy at 298.15K	-872.059978
HF Energy	-872.056433
Nuclear repulsion energy	408.636039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1380	1315	226.97
2	A₁	788	751	48.04
3	A₁	631	601	2.19
4	A₁	541	516	27.53
5	A₁	158	151	0.00
6	A₂	535	510	0.00
7	B₁	934	891	243.35
8	B₁	539	514	22.55
9	B₁	270	258	0.28
10	B₂	910	868	430.53
11	B₂	607	578	31.56
12	B₂	520	496	0.17

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.140
O2	0.000	0.000	1.571
F3	0.000	1.596	-0.099
F4	0.000	-1.596	-0.099
F5	1.324	0.000	-0.724
F6	-1.324	0.000	-0.724

	S1	O2	F3	F4	F5	F6
S1		1.4313	1.6143	1.6143	1.5809	1.5809
O2	1.4313		2.3105	2.3105	2.6497	2.6497
F3	1.6143	2.3105		3.1930	2.1662	2.1662
F4	1.6143	2.3105	3.1930		2.1662	2.1662
F5	1.5809	2.6497	2.1662	2.1662		2.6480
F6	1.5809	2.6497	2.1662	2.1662	2.6480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.508	O2	S1	F4	98.508
O2	S1	F5	123.124	O2	S1	F6	123.124
F3	S1	F4	162.983	F3	S1	F5	85.363
F3	S1	F6	85.363	F4	S1	F5	85.363
F4	S1	F6	85.363	F5	S1	F6	113.751

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

using model chemistry: PBE1PBE/6-31G**

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	1.513
2	O	-0.405
3	F	-0.314
4	F	-0.314
5	F	-0.241
6	F	-0.241

	x	y	z	Total
	0.000	0.000	-1.145	1.145
CHELPG
AIM
ESP

<r²>	130.646
(<r²>)^1/2	11.430

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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