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	hartrees
Energy at 0K	-872.136789
Energy at 298.15K	-872.139246
HF Energy	-872.136789
Nuclear repulsion energy	373.067691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1020	977	110.62
2	A₁	638	611	24.26
3	A₁	551	528	0.11
4	A₁	382	366	29.20
5	A₁	102	98	0.01
6	A₂	375	359	0.00
7	B₁	785	752	145.31
8	B₁	381	365	23.59
9	B₁	213	204	0.36
10	B₂	813	778	240.16
11	B₂	421	403	26.20
12	B₂	349	334	1.53

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.160
O2	0.000	0.000	1.740
F3	0.000	1.728	-0.151
F4	0.000	-1.728	-0.151
F5	1.473	0.000	-0.765
F6	-1.473	0.000	-0.765

	S1	O2	F3	F4	F5	F6
S1		1.5804	1.7555	1.7555	1.7398	1.7398
O2	1.5804		2.5615	2.5615	2.9068	2.9068
F3	1.7555	2.5615		3.4557	2.3525	2.3525
F4	1.7555	2.5615	3.4557		2.3525	2.3525
F5	1.7398	2.9068	2.3525	2.3525		2.9467
F6	1.7398	2.9068	2.3525	2.3525	2.9467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	100.190	O2	S1	F4	100.190
O2	S1	F5	122.131	O2	S1	F6	122.131
F3	S1	F4	159.620	F3	S1	F5	84.601
F3	S1	F6	84.601	F4	S1	F5	84.601
F4	S1	F6	84.601	F5	S1	F6	115.738

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	1.622
2	O	-0.440
3	F	-0.321
4	F	-0.321
5	F	-0.271
6	F	-0.271

	x	y	z	Total
	0.000	0.000	-0.283	0.283
CHELPG
AIM
ESP

<r²>	153.718
(<r²>)^1/2	12.398

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)