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	hartrees
Energy at 0K	-1357.483909
Energy at 298.15K	-1357.487711
HF Energy	-1357.483909
Nuclear repulsion energy	623.721564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	810	781	426.91
2	A₁	652	628	9.46
3	A₁	552	533	83.20
4	A₁	365	352	2.99
5	B₁	451	435	0.00
6	B₂	595	574	0.00
7	B₂	304	293	0.00
8	E	876	844	374.72
8	E	876	844	374.72
9	E	521	502	14.18
9	E	521	502	14.18
10	E	397	383	0.94
10	E	397	383	0.94
11	E	239	231	0.00
11	E	239	231	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.261
Cl2	0.000	0.000	1.844
F3	0.000	1.619	-0.287
F4	1.619	0.000	-0.287
F5	0.000	-1.619	-0.287
F6	-1.619	0.000	-0.287
F7	0.000	0.000	-1.873

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1045	1.6191	1.6191	1.6191	1.6191	1.6125
Cl2	2.1045		2.6759	2.6759	2.6759	2.6759	3.7169
F3	1.6191	2.6759		2.2895	3.2379	2.2895	2.2665
F4	1.6191	2.6759	2.2895		2.2895	3.2379	2.2665
F5	1.6191	2.6759	3.2379	2.2895		2.2895	2.2665
F6	1.6191	2.6759	2.2895	3.2379	2.2895		2.2665
F7	1.6125	3.7169	2.2665	2.2665	2.2665	2.2665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.926	Cl2	S1	F4	90.926
Cl2	S1	F5	90.926	Cl2	S1	F6	90.926
Cl2	S1	F7	180.000	F3	S1	F4	89.985
F3	S1	F5	178.148	F3	S1	F6	89.985
F3	S1	F7	89.074	F4	S1	F5	89.985
F4	S1	F6	178.148	F4	S1	F7	89.074
F5	S1	F6	89.985	F5	S1	F7	89.074
F6	S1	F7	89.074

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

using model chemistry: B3LYP/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	2.052
2	Cl	0.106
3	F	-0.408
4	F	-0.408
5	F	-0.408
6	F	-0.408
7	F	-0.528

	x	y	z	Total
	0.000	0.000	0.885	0.885
CHELPG
AIM
ESP

<r²>	219.697
(<r²>)^1/2	14.822

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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