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	hartrees
Energy at 0K	-1357.521464
Energy at 298.15K	-1357.525572
HF Energy	-1357.521464
Nuclear repulsion energy	634.701210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	848	818	392.94
2	A₁	688	664	8.30
3	A₁	584	563	76.29
4	A₁	377	364	10.19
5	B₁	487	470	0.00
6	B₂	620	598	0.00
7	B₂	325	314	0.00
8	E	919	887	287.16
8	E	919	887	287.16
9	E	559	540	11.14
9	E	559	540	11.14
10	E	424	409	0.70
10	E	424	409	0.70
11	E	256	247	0.04
11	E	256	247	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.271
Cl2	0.000	0.000	1.829
F3	0.000	1.584	-0.281
F4	1.584	0.000	-0.281
F5	0.000	-1.584	-0.281
F6	-1.584	0.000	-0.281
F7	0.000	0.000	-1.848

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1000	1.5836	1.5836	1.5836	1.5836	1.5771
Cl2	2.1000		2.6379	2.6379	2.6379	2.6379	3.6771
F3	1.5836	2.6379		2.2395	3.1671	2.2395	2.2281
F4	1.5836	2.6379	2.2395		2.2395	3.1671	2.2281
F5	1.5836	2.6379	3.1671	2.2395		2.2395	2.2281
F6	1.5836	2.6379	2.2395	3.1671	2.2395		2.2281
F7	1.5771	3.6771	2.2281	2.2281	2.2281	2.2281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.354	Cl2	S1	F4	90.354
Cl2	S1	F5	90.354	Cl2	S1	F6	90.354
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.292	F3	S1	F6	89.998
F3	S1	F7	89.646	F4	S1	F5	89.998
F4	S1	F6	179.292	F4	S1	F7	89.646
F5	S1	F6	89.998	F5	S1	F7	89.646
F6	S1	F7	89.646

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

using model chemistry: B3LYP/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	0.720
2	Cl	-0.171
3	F	-0.130
4	F	-0.130
5	F	-0.130
6	F	-0.130
7	F	-0.030

	x	y	z	Total
	0.000	0.000	0.052	0.052
CHELPG
AIM
ESP

<r²>	212.504
(<r²>)^1/2	14.578

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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