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	hartrees
Energy at 0K	-872.666332
Energy at 298.15K	-872.669631
HF Energy	-872.666332
Nuclear repulsion energy	400.441298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1302	1263	212.90
2	A₁	732	710	52.12
3	A₁	592	575	2.69
4	A₁	506	491	27.67
5	A₁	159	154	0.06
6	A₂	488	473	0.00
7	B₁	869	843	240.84
8	B₁	496	481	21.08
9	B₁	227	220	0.32
10	B₂	859	833	435.57
11	B₂	570	553	30.64
12	B₂	494	480	0.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.149
O2	0.000	0.000	1.600
F3	0.000	1.636	-0.076
F4	0.000	-1.636	-0.076
F5	1.330	0.000	-0.767
F6	-1.330	0.000	-0.767

	S1	O2	F3	F4	F5	F6
S1		1.4515	1.6510	1.6510	1.6149	1.6149
O2	1.4515		2.3417	2.3417	2.7155	2.7155
F3	1.6510	2.3417		3.2714	2.2187	2.2187
F4	1.6510	2.3417	3.2714		2.2187	2.2187
F5	1.6149	2.7155	2.2187	2.2187		2.6599
F6	1.6149	2.7155	2.2187	2.2187	2.6599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.808	O2	S1	F4	97.808
O2	S1	F5	124.559	O2	S1	F6	124.559
F3	S1	F4	164.384	F3	S1	F5	85.580
F3	S1	F6	85.580	F4	S1	F5	85.580
F4	S1	F6	85.580	F5	S1	F6	110.881

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

using model chemistry: B3LYPultrafine/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	1.294
2	O	-0.322
3	F	-0.276
4	F	-0.276
5	F	-0.210
6	F	-0.210

	x	y	z	Total
	0.000	0.000	-0.756	0.756
CHELPG
AIM
ESP

<r²>	135.422
(<r²>)^1/2	11.637

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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