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	hartrees
Energy at 0K	-872.672268
Energy at 298.15K	-872.675559
HF Energy	-872.672268
Nuclear repulsion energy	403.368243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1320	1271	223.73
2	A₁	726	699	60.12
3	A₁	563	542	3.15
4	A₁	513	493	25.09
5	A₁	150	145	0.01
6	A₂	504	486	0.00
7	B₁	856	824	262.92
8	B₁	507	488	18.78
9	B₁	249	240	0.02
10	B₂	802	772	496.43
11	B₂	576	555	24.66
12	B₂	496	478	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.145
O2	0.000	0.000	1.584
F3	0.000	1.626	-0.095
F4	0.000	-1.626	-0.095
F5	1.334	0.000	-0.738
F6	-1.334	0.000	-0.738

	S1	O2	F3	F4	F5	F6
S1		1.4385	1.6436	1.6436	1.5996	1.5996
O2	1.4385		2.3373	2.3373	2.6772	2.6772
F3	1.6436	2.3373		3.2519	2.1990	2.1990
F4	1.6436	2.3373	3.2519		2.1990	2.1990
F5	1.5996	2.6772	2.1990	2.1990		2.6680
F6	1.5996	2.6772	2.1990	2.1990	2.6680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	F3	98.415	O2	S1	F4	98.415
O2	S1	F5	123.493	O2	S1	F6	123.493
F3	S1	F4	163.170	F3	S1	F5	85.368
F3	S1	F6	85.368	F4	S1	F5	85.368
F4	S1	F6	85.368	F5	S1	F6	113.015

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

using model chemistry: B3LYPultrafine/6-31+G**

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	2.102
2	O	-0.519
3	F	-0.434
4	F	-0.434
5	F	-0.357
6	F	-0.357

	x	y	z	Total
	0.000	0.000	-0.831	0.831
CHELPG
AIM
ESP

<r²>	134.481
(<r²>)^1/2	11.597

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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