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	hartrees
Energy at 0K	-872.140302
Energy at 298.15K	-872.143348
HF Energy	-872.140302
Nuclear repulsion energy	395.071151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1245	1238	179.82
2	A₁	683	679	53.14
3	A₁	539	536	1.10
4	A₁	473	470	18.01
5	A₁	148	147	0.00
6	A₂	457	454	0.00
7	B₁	807	802	219.96
8	B₁	466	463	12.10
9	B₁	217	215	0.04
10	B₂	776	771	416.34
11	B₂	532	529	18.49
12	B₂	460	457	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.151
O2	0.000	0.000	1.619
F3	0.000	1.660	-0.080
F4	0.000	-1.660	-0.080
F5	1.349	0.000	-0.774
F6	-1.349	0.000	-0.774

	S1	O2	F3	F4	F5	F6
S1		1.4679	1.6764	1.6764	1.6358	1.6358
O2	1.4679		2.3757	2.3757	2.7474	2.7474
F3	1.6764	2.3757		3.3208	2.2490	2.2490
F4	1.6764	2.3757	3.3208		2.2490	2.2490
F5	1.6358	2.7474	2.2490	2.2490		2.6970
F6	1.6358	2.7474	2.2490	2.2490	2.6970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.930	O2	S1	F4	97.930
O2	S1	F5	124.473	O2	S1	F6	124.473
F3	S1	F4	164.140	F3	S1	F5	85.521
F3	S1	F6	85.521	F4	S1	F5	85.521
F4	S1	F6	85.521	F5	S1	F6	111.054

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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	2.059
2	O	-0.507
3	F	-0.412
4	F	-0.412
5	F	-0.363
6	F	-0.363

	x	y	z	Total
	0.000	0.000	-0.662	0.662
CHELPG
AIM
ESP

<r²>	138.981
(<r²>)^1/2	11.789

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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