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	hartrees
Energy at 0K	-861.265865
Energy at 298.15K	-861.267512
HF Energy	-861.265865
Nuclear repulsion energy	368.431123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1031	1031	52.43
2	A₁	628	628	11.22
3	A₁	567	567	0.74
4	A₁	342	342	12.05
5	A₁	97	97	0.45
6	A₂	313	313	0.00
7	B₁	730	730	73.45
8	B₁	310	310	10.01
9	B₁	93	93	1.87
10	B₂	873	873	143.71
11	B₂	376	376	16.85
12	B₂	338	338	0.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.176
O2	0.000	0.000	1.789
F3	0.000	1.748	-0.049
F4	0.000	-1.748	-0.049
F5	1.408	0.000	-0.902
F6	-1.408	0.000	-0.902

	S1	O2	F3	F4	F5	F6
S1		1.6134	1.7624	1.7624	1.7730	1.7730
O2	1.6134		2.5369	2.5369	3.0371	3.0371
F3	1.7624	2.5369		3.4960	2.4009	2.4009
F4	1.7624	2.5369	3.4960		2.4009	2.4009
F5	1.7730	3.0371	2.4009	2.4009		2.8159
F6	1.7730	3.0371	2.4009	2.4009	2.8159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.341	O2	S1	F4	97.341
O2	S1	F5	127.432	O2	S1	F6	127.432
F3	S1	F4	165.318	F3	S1	F5	85.546
F3	S1	F6	85.546	F4	S1	F5	85.546
F4	S1	F6	85.546	F5	S1	F6	105.137

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

using model chemistry: TPSSh/STO-3G

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	0.874
2	O	-0.291
3	F	-0.159
4	F	-0.159
5	F	-0.132
6	F	-0.132

	x	y	z	Total
	0.000	0.000	-0.683	0.683
CHELPG
AIM
ESP

<r²>	152.549
(<r²>)^1/2	12.351

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

using model chemistry: TPSSh/STO-3G

States and conformations

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