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	hartrees
Energy at 0K	-1354.085027
Energy at 298.15K	-1354.089850
HF Energy	-1354.085027
Nuclear repulsion energy	652.667281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	973	881	484.70
2	A₁	806	730	18.98
3	A₁	668	605	114.47
4	A₁	449	406	6.70
5	B₁	560	507	0.00
6	B₂	714	646	0.00
7	B₂	379	343	0.00
8	E	1062	962	353.12
8	E	1062	962	353.12
9	E	642	582	21.55
9	E	642	582	21.55
10	E	489	443	1.16
10	E	489	443	1.16
11	E	296	268	0.05
11	E	296	268	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.786
F3	0.000	1.538	-0.277
F4	1.538	0.000	-0.277
F5	0.000	-1.538	-0.277
F6	-1.538	0.000	-0.277
F7	0.000	0.000	-1.797

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0476	1.5377	1.5377	1.5377	1.5377	1.5350
Cl2	2.0476		2.5730	2.5730	2.5730	2.5730	3.5826
F3	1.5377	2.5730		2.1745	3.0752	2.1745	2.1618
F4	1.5377	2.5730	2.1745		2.1745	3.0752	2.1618
F5	1.5377	2.5730	3.0752	2.1745		2.1745	2.1618
F6	1.5377	2.5730	2.1745	3.0752	2.1745		2.1618
F7	1.5350	3.5826	2.1618	2.1618	2.1618	2.1618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.576	Cl2	S1	F4	90.576
Cl2	S1	F5	90.576	Cl2	S1	F6	90.576
Cl2	S1	F7	180.000	F3	S1	F4	89.994
F3	S1	F5	178.848	F3	S1	F6	89.994
F3	S1	F7	89.424	F4	S1	F5	89.994
F4	S1	F6	178.848	F4	S1	F7	89.424
F5	S1	F6	89.994	F5	S1	F7	89.424
F6	S1	F7	89.424

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

using model chemistry: HF/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	1.446
2	Cl	-0.179
3	F	-0.278
4	F	-0.278
5	F	-0.278
6	F	-0.278
7	F	-0.154

	x	y	z	Total
	0.000	0.000	0.168	0.168
CHELPG
AIM
ESP

<r²>	203.066
(<r²>)^1/2	14.250

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

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

States and conformations

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