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	hartrees
Energy at 0K	-1356.856242
Energy at 298.15K	-1356.860268
HF Energy	-1356.856242
Nuclear repulsion energy	631.379172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	829	796	448.64
2	A₁	670	643	11.13
3	A₁	574	550	97.48
4	A₁	386	371	4.43
5	B₁	469	450	0.00
6	B₂	609	584	0.00
7	B₂	319	306	0.00
8	E	892	856	372.32
8	E	892	856	372.32
9	E	545	523	20.39
9	E	545	523	20.39
10	E	413	397	1.74
10	E	413	397	1.74
11	E	252	242	0.04
11	E	252	242	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.260
Cl2	0.000	0.000	1.820
F3	0.000	1.600	-0.281
F4	1.600	0.000	-0.281
F5	0.000	-1.600	-0.281
F6	-1.600	0.000	-0.281
F7	0.000	0.000	-1.852

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0798	1.5997	1.5997	1.5997	1.5997	1.5919
Cl2	2.0798		2.6406	2.6406	2.6406	2.6406	3.6717
F3	1.5997	2.6406		2.2621	3.1991	2.2621	2.2418
F4	1.5997	2.6406	2.2621		2.2621	3.1991	2.2418
F5	1.5997	2.6406	3.1991	2.2621		2.2621	2.2418
F6	1.5997	2.6406	2.2621	3.1991	2.2621		2.2418
F7	1.5919	3.6717	2.2418	2.2418	2.2418	2.2418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.758	Cl2	S1	F4	90.758
Cl2	S1	F5	90.758	Cl2	S1	F6	90.758
Cl2	S1	F7	180.000	F3	S1	F4	89.990
F3	S1	F5	178.483	F3	S1	F6	89.990
F3	S1	F7	89.242	F4	S1	F5	89.990
F4	S1	F6	178.483	F4	S1	F7	89.242
F5	S1	F6	89.990	F5	S1	F7	89.242
F6	S1	F7	89.242

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)

using model chemistry: PBE1PBE/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	1.409
2	Cl	-0.078
3	F	-0.266
4	F	-0.266
5	F	-0.266
6	F	-0.266
7	F	-0.265

	x	y	z	Total
	0.000	0.000	0.654	0.654
CHELPG
AIM
ESP

<r²>	215.230
(<r²>)^1/2	14.671

All results from a given calculation for SF5Cl (sulfur chloropentafluoride)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)