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	hartrees
Energy at 0K	-897.050315
Energy at 298.15K	-897.053371
HF Energy	-897.050315
Nuclear repulsion energy	404.819030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	876	846	147.16
2	A₁	623	602	5.54
3	A₁	488	471	31.21
4	B₁	411	396	0.00
5	B₂	596	575	0.00
6	B₂	212	205	0.00
7	E	841	812	418.35
7	E	841	812	418.35
8	E	466	450	3.18
8	E	466	450	3.18
9	E	321	310	0.06
9	E	321	310	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.206
F2	0.000	0.000	-1.387
F3	0.000	1.654	0.255
F4	-1.654	0.000	0.255
F5	0.000	-1.654	0.255
F6	1.654	0.000	0.255

	S1	F2	F3	F4	F5	F6
S1		1.5930	1.6547	1.6547	1.6547	1.6547
F2	1.5930		2.3310	2.3310	2.3310	2.3310
F3	1.6547	2.3310		2.3390	3.3078	2.3390
F4	1.6547	2.3310	2.3390		2.3390	3.3078
F5	1.6547	2.3310	3.3078	2.3390		2.3390
F6	1.6547	2.3310	2.3390	3.3078	2.3390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.718	F2	S1	F4	91.718
F2	S1	F5	91.718	F2	S1	F6	91.718
F3	S1	F4	89.949	F3	S1	F5	176.565
F3	S1	F6	89.949	F4	S1	F5	89.949
F4	S1	F6	176.565	F5	S1	F6	89.949

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

using model chemistry: B3PW91/cc-pVDZ

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	1.307
2	F	-0.227
3	F	-0.270
4	F	-0.270
5	F	-0.270
6	F	-0.270

	x	y	z	Total
	0.000	0.000	0.505	0.505
CHELPG
AIM
ESP

<r²>	142.422
(<r²>)^1/2	11.934

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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