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	hartrees
Energy at 0K	-867.979665
Energy at 298.15K	-867.982421
HF Energy	-867.979665
Nuclear repulsion energy	384.514052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1146	1110	101.32
2	A₁	681	659	24.64
3	A₁	596	577	0.01
4	A₁	413	400	31.60
5	A₁	115	111	0.00
6	A₂	396	384	0.00
7	B₁	866	839	150.32
8	B₁	412	399	26.51
9	B₁	233	226	0.26
10	B₂	869	842	239.45
11	B₂	448	434	30.20
12	B₂	369	358	2.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.155
O2	0.000	0.000	1.706
F3	0.000	1.672	-0.161
F4	0.000	-1.672	-0.161
F5	1.427	0.000	-0.735
F6	-1.427	0.000	-0.735

	S1	O2	F3	F4	F5	F6
S1		1.5509	1.7018	1.7018	1.6816	1.6816
O2	1.5509		2.5062	2.5062	2.8270	2.8270
F3	1.7018	2.5062		3.3444	2.2720	2.2720
F4	1.7018	2.5062	3.3444		2.2720	2.2720
F5	1.6816	2.8270	2.2720	2.2720		2.8544
F6	1.6816	2.8270	2.2720	2.2720	2.8544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	100.694	O2	S1	F4	100.694
O2	S1	F5	121.927	O2	S1	F6	121.927
F3	S1	F4	158.612	F3	S1	F5	84.368
F3	S1	F6	84.368	F4	S1	F5	84.368
F4	S1	F6	84.368	F5	S1	F6	116.146

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

using model chemistry: TPSSh/3-21G

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	1.699
2	O	-0.508
3	F	-0.319
4	F	-0.319
5	F	-0.277
6	F	-0.277

	x	y	z	Total
	0.000	0.000	-0.619	0.619
CHELPG
AIM
ESP

<r²>	145.215
(<r²>)^1/2	12.051

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

using model chemistry: TPSSh/3-21G

States and conformations

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