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	hartrees
Energy at 0K	-1357.297614
Energy at 298.15K	-1357.302017
HF Energy	-1357.297614
Nuclear repulsion energy	642.275469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	909	865	418.25
2	A₁	744	709	10.92
3	A₁	612	583	100.35
4	A₁	413	394	7.98
5	B₁	511	486	0.00
6	B₂	662	631	0.00
7	B₂	346	330	0.00
8	E	985	938	303.66
8	E	985	938	303.66
9	E	586	558	15.62
9	E	586	558	15.62
10	E	446	425	0.95
10	E	446	425	0.95
11	E	270	257	0.04
11	E	270	257	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.801
F3	0.000	1.567	-0.277
F4	1.567	0.000	-0.277
F5	0.000	-1.567	-0.277
F6	-1.567	0.000	-0.277
F7	0.000	0.000	-1.826

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0653	1.5672	1.5672	1.5672	1.5672	1.5616
Cl2	2.0653		2.6024	2.6024	2.6024	2.6024	3.6269
F3	1.5672	2.6024		2.2162	3.1342	2.2162	2.2036
F4	1.5672	2.6024	2.2162		2.2162	3.1342	2.2036
F5	1.5672	2.6024	3.1342	2.2162		2.2162	2.2036
F6	1.5672	2.6024	2.2162	3.1342	2.2162		2.2036
F7	1.5616	3.6269	2.2036	2.2036	2.2036	2.2036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.450	Cl2	S1	F4	90.450
Cl2	S1	F5	90.450	Cl2	S1	F6	90.450
Cl2	S1	F7	180.000	F3	S1	F4	89.996
F3	S1	F5	179.100	F3	S1	F6	89.996
F3	S1	F7	89.550	F4	S1	F5	89.996
F4	S1	F6	179.100	F4	S1	F7	89.550
F5	S1	F6	89.996	F5	S1	F7	89.550
F6	S1	F7	89.550

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

using model chemistry: M06-2X/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	0.772
2	Cl	-0.150
3	F	-0.139
4	F	-0.139
5	F	-0.139
6	F	-0.139
7	F	-0.065

	x	y	z	Total
	0.000	0.000	0.091	0.091
CHELPG
AIM
ESP

<r²>	208.032
(<r²>)^1/2	14.423

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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