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	hartrees
Energy at 0K	-1353.151978
Energy at 298.15K	-1353.156131
HF Energy	-1353.151978
Nuclear repulsion energy	641.634201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	871	858	370.48
2	A₁	709	697	6.36
3	A₁	585	576	84.92
4	A₁	394	388	8.89
5	B₁	484	476	0.00
6	B₂	638	628	0.00
7	B₂	322	317	0.00
8	E	949	934	271.72
8	E	949	934	271.72
9	E	557	548	12.23
9	E	557	548	12.23
10	E	422	415	0.74
10	E	422	415	0.74
11	E	255	251	0.04
11	E	255	251	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.265
Cl2	0.000	0.000	1.797
F3	0.000	1.570	-0.274
F4	1.570	0.000	-0.274
F5	0.000	-1.570	-0.274
F6	-1.570	0.000	-0.274
F7	0.000	0.000	-1.830

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0622	1.5701	1.5701	1.5701	1.5701	1.5649
Cl2	2.0622		2.5989	2.5989	2.5989	2.5989	3.6271
F3	1.5701	2.5989		2.2204	3.1402	2.2204	2.2106
F4	1.5701	2.5989	2.2204		2.2204	3.1402	2.2106
F5	1.5701	2.5989	3.1402	2.2204		2.2204	2.2106
F6	1.5701	2.5989	2.2204	3.1402	2.2204		2.2106
F7	1.5649	3.6271	2.2106	2.2106	2.2106	2.2106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.321	Cl2	S1	F4	90.321
Cl2	S1	F5	90.321	Cl2	S1	F6	90.321
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.359	F3	S1	F6	89.998
F3	S1	F7	89.679	F4	S1	F5	89.998
F4	S1	F6	179.359	F4	S1	F7	89.679
F5	S1	F6	89.998	F5	S1	F7	89.679
F6	S1	F7	89.679

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.343
2	Cl	-0.156
3	F	-0.056
4	F	-0.056
5	F	-0.056
6	F	-0.056
7	F	0.036

	x	y	z	Total
	0.000	0.000	-0.027	0.027
CHELPG
AIM
ESP

<r²>	208.034
(<r²>)^1/2	14.423

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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