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	hartrees
Energy at 0K	-872.797921
Energy at 298.15K	-872.801213
HF Energy	-872.797921
Nuclear repulsion energy	404.193233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1340	1295	225.15
2	A₁	713	689	60.83
3	A₁	552	533	5.24
4	A₁	516	499	26.94
5	A₁	147	142	0.00
6	A₂	511	494	0.00
7	B₁	840	812	259.29
8	B₁	512	495	21.25
9	B₁	253	245	0.02
10	B₂	786	759	464.11
11	B₂	585	565	22.41
12	B₂	502	485	0.20

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.146
O2	0.000	0.000	1.574
F3	0.000	1.624	-0.102
F4	0.000	-1.624	-0.102
F5	1.338	0.000	-0.727
F6	-1.338	0.000	-0.727

	S1	O2	F3	F4	F5	F6
S1		1.4279	1.6428	1.6428	1.5978	1.5978
O2	1.4279		2.3335	2.3335	2.6617	2.6617
F3	1.6428	2.3335		3.2479	2.1952	2.1952
F4	1.6428	2.3335	3.2479		2.1952	2.1952
F5	1.5978	2.6617	2.1952	2.1952		2.6764
F6	1.5978	2.6617	2.1952	2.1952	2.6764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.675	O2	S1	F4	98.675
O2	S1	F5	123.121	O2	S1	F6	123.121
F3	S1	F4	162.649	F3	S1	F5	85.273
F3	S1	F6	85.273	F4	S1	F5	85.273
F4	S1	F6	85.273	F5	S1	F6	113.759

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

using model chemistry: B3LYPultrafine/6-311G*

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	1.446
2	O	-0.372
3	F	-0.304
4	F	-0.304
5	F	-0.233
6	F	-0.233

	x	y	z	Total
	0.000	0.000	-0.759	0.759
CHELPG
AIM
ESP

<r²>	134.117
(<r²>)^1/2	11.581

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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