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	hartrees
Energy at 0K	-872.327672
Energy at 298.15K	-872.331016
HF Energy	-872.327672
Nuclear repulsion energy	406.883753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1338	1338	199.56
2	A₁	726	726	54.88
3	A₁	548	548	4.43
4	A₁	523	523	17.72
5	A₁	150	150	0.01
6	A₂	521	521	0.00
7	B₁	848	848	243.77
8	B₁	520	520	13.14
9	B₁	246	246	0.01
10	B₂	780	780	446.03
11	B₂	592	592	16.98
12	B₂	512	512	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.140
O2	0.000	0.000	1.567
F3	0.000	1.615	-0.092
F4	0.000	-1.615	-0.092
F5	1.323	0.000	-0.729
F6	-1.323	0.000	-0.729

	S1	O2	F3	F4	F5	F6
S1		1.4277	1.6311	1.6311	1.5826	1.5826
O2	1.4277		2.3150	2.3150	2.6502	2.6502
F3	1.6311	2.3150		3.2292	2.1825	2.1825
F4	1.6311	2.3150	3.2292		2.1825	2.1825
F5	1.5826	2.6502	2.1825	2.1825		2.6456
F6	1.5826	2.6502	2.1825	2.1825	2.6456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.150	O2	S1	F4	98.150
O2	S1	F5	123.295	O2	S1	F6	123.295
F3	S1	F4	163.700	F3	S1	F5	85.537
F3	S1	F6	85.537	F4	S1	F5	85.537
F4	S1	F6	85.537	F5	S1	F6	113.410

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

using model chemistry: PBEPBEultrafine/cc-pV(T+d)Z

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	0.945
2	O	-0.303
3	F	-0.203
4	F	-0.203
5	F	-0.118
6	F	-0.118

	x	y	z	Total
	0.000	0.000	-1.003	1.003
CHELPG
AIM
ESP

<r²>	131.843
(<r²>)^1/2	11.482

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

using model chemistry: PBEPBEultrafine/cc-pV(T+d)Z

States and conformations

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