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	hartrees
Energy at 0K	-1356.383939
Energy at 298.15K	-1356.386636
HF Energy	-1356.383939
Nuclear repulsion energy	582.774190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	798	763	245.15
2	A₁	600	573	0.04
3	A₁	443	423	93.92
4	A₁	306	293	0.50
5	B₁	324	310	0.00
6	B₂	580	555	0.00
7	B₂	227	217	0.00
8	E	873	835	215.63
8	E	873	835	215.63
9	E	381	365	20.81
9	E	381	365	20.81
10	E	286	273	3.35
10	E	286	273	3.35
11	E	175	167	0.05
11	E	175	167	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.280
Cl2	0.000	0.000	1.981
F3	0.000	1.731	-0.311
F4	1.731	0.000	-0.311
F5	0.000	-1.731	-0.311
F6	-1.731	0.000	-0.311
F7	0.000	0.000	-1.999

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.2613	1.7316	1.7316	1.7316	1.7316	1.7192
Cl2	2.2613		2.8724	2.8724	2.8724	2.8724	3.9804
F3	1.7316	2.8724		2.4484	3.4626	2.4484	2.4183
F4	1.7316	2.8724	2.4484		2.4484	3.4626	2.4183
F5	1.7316	2.8724	3.4626	2.4484		2.4484	2.4183
F6	1.7316	2.8724	2.4484	3.4626	2.4484		2.4183
F7	1.7192	3.9804	2.4183	2.4183	2.4183	2.4183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	91.017	Cl2	S1	F4	91.017
Cl2	S1	F5	91.017	Cl2	S1	F6	91.017
Cl2	S1	F7	180.000	F3	S1	F4	89.982
F3	S1	F5	177.966	F3	S1	F6	89.982
F3	S1	F7	88.983	F4	S1	F5	89.982
F4	S1	F6	177.966	F4	S1	F7	88.983
F5	S1	F6	89.982	F5	S1	F7	88.983
F6	S1	F7	88.983

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

using model chemistry: PBE1PBE/6-31G

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	1.556
2	Cl	0.026
3	F	-0.317
4	F	-0.317
5	F	-0.317
6	F	-0.317
7	F	-0.312

	x	y	z	Total
	0.000	0.000	1.127	1.127
CHELPG
AIM
ESP

<r²>	248.295
(<r²>)^1/2	15.757

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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