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	hartrees
Energy at 0K	-1356.464702
Energy at 298.15K	-1356.467358
HF Energy	-1356.464702
Nuclear repulsion energy	581.918801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	793	759	241.46
2	A₁	595	569	0.05
3	A₁	440	421	92.57
4	A₁	303	290	0.41
5	B₁	321	307	0.00
6	B₂	576	551	0.00
7	B₂	225	215	0.00
8	E	867	829	213.74
8	E	867	829	213.74
9	E	379	362	20.31
9	E	379	362	20.31
10	E	283	271	3.32
10	E	283	271	3.32
11	E	173	166	0.05
11	E	173	166	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.281
Cl2	0.000	0.000	1.985
F3	0.000	1.733	-0.312
F4	1.733	0.000	-0.312
F5	0.000	-1.733	-0.312
F6	-1.733	0.000	-0.312
F7	0.000	0.000	-2.002

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.2664	1.7338	1.7338	1.7338	1.7338	1.7208
Cl2	2.2664		2.8780	2.8780	2.8780	2.8780	3.9872
F3	1.7338	2.8780		2.4515	3.4670	2.4515	2.4208
F4	1.7338	2.8780	2.4515		2.4515	3.4670	2.4208
F5	1.7338	2.8780	3.4670	2.4515		2.4515	2.4208
F6	1.7338	2.8780	2.4515	3.4670	2.4515		2.4208
F7	1.7208	3.9872	2.4208	2.4208	2.4208	2.4208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	91.025	Cl2	S1	F4	91.025
Cl2	S1	F5	91.025	Cl2	S1	F6	91.025
Cl2	S1	F7	180.000	F3	S1	F4	89.982
F3	S1	F5	177.951	F3	S1	F6	89.982
F3	S1	F7	88.975	F4	S1	F5	89.982
F4	S1	F6	177.951	F4	S1	F7	88.975
F5	S1	F6	89.982	F5	S1	F7	88.975
F6	S1	F7	88.975

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

using model chemistry: HSEh1PBE/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	1.547
2	Cl	0.025
3	F	-0.316
4	F	-0.316
5	F	-0.316
6	F	-0.316
7	F	-0.310

	x	y	z	Total
	0.000	0.000	1.136	1.136
CHELPG
AIM
ESP

<r²>	248.961
(<r²>)^1/2	15.778

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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