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	hartrees
Energy at 0K	-872.683755
Energy at 298.15K	-872.687287
HF Energy	-872.683755
Nuclear repulsion energy	410.562199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1373	1320	227.08
2	A₁	775	746	56.80
3	A₁	587	564	3.60
4	A₁	547	526	25.18
5	A₁	166	159	0.00
6	A₂	539	518	0.00
7	B₁	902	868	259.36
8	B₁	541	520	19.16
9	B₁	256	246	0.10
10	B₂	830	798	477.86
11	B₂	616	592	28.82
12	B₂	533	513	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.137
O2	0.000	0.000	1.560
F3	0.000	1.600	-0.084
F4	0.000	-1.600	-0.084
F5	1.303	0.000	-0.731
F6	-1.303	0.000	-0.731

	S1	O2	F3	F4	F5	F6
S1		1.4225	1.6153	1.6153	1.5657	1.5657
O2	1.4225		2.2939	2.2939	2.6355	2.6355
F3	1.6153	2.2939		3.2002	2.1626	2.1626
F4	1.6153	2.2939	3.2002		2.1626	2.1626
F5	1.5657	2.6355	2.1626	2.1626		2.6056
F6	1.5657	2.6355	2.1626	2.1626	2.6056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	97.870	O2	S1	F4	97.870
O2	S1	F5	123.687	O2	S1	F6	123.687
F3	S1	F4	164.261	F3	S1	F5	85.645
F3	S1	F6	85.645	F4	S1	F5	85.645
F4	S1	F6	85.645	F5	S1	F6	112.627

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

using model chemistry: B3PW91/cc-pVTZ

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	1.079
2	O	-0.333
3	F	-0.232
4	F	-0.232
5	F	-0.140
6	F	-0.140

	x	y	z	Total
	0.000	0.000	-1.128	1.128
CHELPG
AIM
ESP

<r²>	129.920
(<r²>)^1/2	11.398

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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