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	hartrees
Energy at 0K	-872.077348
Energy at 298.15K	-872.080420
HF Energy	-872.077348
Nuclear repulsion energy	398.403369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1286	1271	198.60
2	A₁	685	677	58.66
3	A₁	534	528	2.51
4	A₁	484	479	19.71
5	A₁	129	128	0.04
6	A₂	481	476	0.00
7	B₁	808	799	251.49
8	B₁	481	475	13.46
9	B₁	239	236	0.00
10	B₂	765	757	458.65
11	B₂	545	539	17.15
12	B₂	468	463	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.148
O2	0.000	0.000	1.600
F3	0.000	1.643	-0.108
F4	0.000	-1.643	-0.108
F5	1.362	0.000	-0.735
F6	-1.362	0.000	-0.735

	S1	O2	F3	F4	F5	F6
S1		1.4521	1.6624	1.6624	1.6235	1.6235
O2	1.4521		2.3699	2.3699	2.7034	2.7034
F3	1.6624	2.3699		3.2852	2.2242	2.2242
F4	1.6624	2.3699	3.2852		2.2242	2.2242
F5	1.6235	2.7034	2.2242	2.2242		2.7247
F6	1.6235	2.7034	2.2242	2.2242	2.7247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.866	O2	S1	F4	98.866
O2	S1	F5	122.949	O2	S1	F6	122.949
F3	S1	F4	162.269	F3	S1	F5	85.192
F3	S1	F6	85.192	F4	S1	F5	85.192
F4	S1	F6	85.192	F5	S1	F6	114.103

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

using model chemistry: PBEPBEultrafine/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	1.823
2	O	-0.450
3	F	-0.386
4	F	-0.386
5	F	-0.300
6	F	-0.300

	x	y	z	Total
	0.000	0.000	-0.652	0.652
CHELPG
AIM
ESP

<r²>	137.196
(<r²>)^1/2	11.713

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

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

States and conformations

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