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	hartrees
Energy at 0K	-896.047534
Energy at 298.15K	-896.050834
HF Energy	-894.644152
Nuclear repulsion energy	412.602905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	873	828	173.18
2	A₁	634	601	12.40
3	A₁	541	513	42.91
4	B₁	451	428	0.00
5	B₂	585	555	0.00
6	B₂	231	219	0.00
7	E	851	807	512.30
7	E	851	807	512.30
8	E	511	485	6.58
8	E	511	485	6.58
9	E	349	331	0.31
9	E	349	331	0.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
F2	0.000	0.000	-1.364
F3	0.000	1.622	0.252
F4	-1.622	0.000	0.252
F5	0.000	-1.622	0.252
F6	1.622	0.000	0.252

	S1	F2	F3	F4	F5	F6
S1		1.5654	1.6226	1.6226	1.6226	1.6226
F2	1.5654		2.2893	2.2893	2.2893	2.2893
F3	1.6226	2.2893		2.2936	3.2437	2.2936
F4	1.6226	2.2893	2.2936		2.2936	3.2437
F5	1.6226	2.2893	3.2437	2.2936		2.2936
F6	1.6226	2.2893	2.2936	3.2437	2.2936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.776	F2	S1	F4	91.776
F2	S1	F5	91.776	F2	S1	F6	91.776
F3	S1	F4	89.945	F3	S1	F5	176.449
F3	S1	F6	89.945	F4	S1	F5	89.945
F4	S1	F6	176.449	F5	S1	F6	89.945

All results from a given calculation for SF₅ (Sulfur pentafluoride)

using model chemistry: MP2=FULL/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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All results from a given calculation for SF5 (Sulfur pentafluoride)

using model chemistry: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for SF₅ (Sulfur pentafluoride)