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	hartrees
Energy at 0K	-897.286508
Energy at 298.15K	-897.289540
HF Energy	-897.286508
Nuclear repulsion energy	409.879897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	865	825	158.79
2	A₁	598	571	6.16
3	A₁	504	481	40.50
4	B₁	423	403	0.00
5	B₂	562	537	0.00
6	B₂	214	205	0.00
7	E	786	750	456.97
7	E	786	750	456.97
8	E	481	459	1.92
8	E	481	459	1.92
9	E	328	313	0.03
9	E	328	313	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.202
F2	0.000	0.000	-1.364
F3	0.000	1.636	0.251
F4	-1.636	0.000	0.251
F5	0.000	-1.636	0.251
F6	1.636	0.000	0.251

	S1	F2	F3	F4	F5	F6
S1		1.5657	1.6363	1.6363	1.6363	1.6363
F2	1.5657		2.2984	2.2984	2.2984	2.2984
F3	1.6363	2.2984		2.3130	3.2711	2.3130
F4	1.6363	2.2984	2.3130		2.3130	3.2711
F5	1.6363	2.2984	3.2711	2.3130		2.3130
F6	1.6363	2.2984	2.3130	3.2711	2.3130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.722	F2	S1	F4	91.722
F2	S1	F5	91.722	F2	S1	F6	91.722
F3	S1	F4	89.948	F3	S1	F5	176.557
F3	S1	F6	89.948	F4	S1	F5	89.948
F4	S1	F6	176.557	F5	S1	F6	89.948

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

using model chemistry: mPW1PW91/6-311G*

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	1.443
2	F	-0.254
3	F	-0.297
4	F	-0.297
5	F	-0.297
6	F	-0.297

	x	y	z	Total
	0.000	0.000	0.507	0.507
CHELPG
AIM
ESP

<r²>	140.157
(<r²>)^1/2	11.839

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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