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	hartrees
Energy at 0K	-872.641566
Energy at 298.15K	-872.644987
HF Energy	-872.641566
Nuclear repulsion energy	405.183090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1336	1283	208.94
2	A₁	752	723	47.81
3	A₁	605	582	2.22
4	A₁	525	505	24.89
5	A₁	149	143	0.00
6	A₂	521	500	0.00
7	B₁	896	861	234.45
8	B₁	522	502	19.65
9	B₁	265	255	0.20
10	B₂	874	840	412.32
11	B₂	589	566	25.62
12	B₂	504	484	0.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.143
O2	0.000	0.000	1.582
F3	0.000	1.610	-0.105
F4	0.000	-1.610	-0.105
F5	1.340	0.000	-0.724
F6	-1.340	0.000	-0.724

	S1	O2	F3	F4	F5	F6
S1		1.4391	1.6286	1.6286	1.5962	1.5962
O2	1.4391		2.3316	2.3316	2.6671	2.6671
F3	1.6286	2.3316		3.2193	2.1842	2.1842
F4	1.6286	2.3316	3.2193		2.1842	2.1842
F5	1.5962	2.6671	2.1842	2.1842		2.6805
F6	1.5962	2.6671	2.1842	2.1842	2.6805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.750	O2	S1	F4	98.750
O2	S1	F5	122.896	O2	S1	F6	122.896
F3	S1	F4	162.500	F3	S1	F5	85.261
F3	S1	F6	85.261	F4	S1	F5	85.261
F4	S1	F6	85.261	F5	S1	F6	114.208

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

using model chemistry: B3LYPultrafine/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	1.487
2	O	-0.394
3	F	-0.309
4	F	-0.309
5	F	-0.237
6	F	-0.237

	x	y	z	Total
	0.000	0.000	-1.062	1.062
CHELPG
AIM
ESP

<r²>	132.556
(<r²>)^1/2	11.513

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

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

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