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	hartrees
Energy at 0K	-872.425420
Energy at 298.15K	-872.428896
HF Energy	-872.425420
Nuclear repulsion energy	406.887790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1360	1304	219.72
2	A₁	768	736	48.65
3	A₁	616	591	2.16
4	A₁	532	510	25.90
5	A₁	153	147	0.00
6	A₂	526	505	0.00
7	B₁	914	876	240.92
8	B₁	530	508	20.71
9	B₁	267	255	0.24
10	B₂	891	854	423.73
11	B₂	597	572	28.02
12	B₂	511	490	0.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.141
O2	0.000	0.000	1.576
F3	0.000	1.603	-0.101
F4	0.000	-1.603	-0.101
F5	1.332	0.000	-0.725
F6	-1.332	0.000	-0.725

	S1	O2	F3	F4	F5	F6
S1		1.4350	1.6215	1.6215	1.5887	1.5887
O2	1.4350		2.3202	2.3202	2.6588	2.6588
F3	1.6215	2.3202		3.2066	2.1757	2.1757
F4	1.6215	2.3202	3.2066		2.1757	2.1757
F5	1.5887	2.6588	2.1757	2.1757		2.6636
F6	1.5887	2.6588	2.1757	2.1757	2.6636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.587	O2	S1	F4	98.587
O2	S1	F5	123.040	O2	S1	F6	123.040
F3	S1	F4	162.826	F3	S1	F5	85.330
F3	S1	F6	85.330	F4	S1	F5	85.330
F4	S1	F6	85.330	F5	S1	F6	113.919

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

using model chemistry: B3PW91/6-31G**

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	1.504
2	O	-0.401
3	F	-0.311
4	F	-0.311
5	F	-0.240
6	F	-0.240

	x	y	z	Total
	0.000	0.000	-1.095	1.095
CHELPG
AIM
ESP

<r²>	131.558
(<r²>)^1/2	11.470

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

using model chemistry: B3PW91/6-31G**

States and conformations

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