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	hartrees
Energy at 0K	-1356.949447
Energy at 298.15K	-1356.953666
HF Energy	-1356.457072
Nuclear repulsion energy	637.960060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	865	826	400.15
2	A₁	702	671	8.29
3	A₁	595	568	79.17
4	A₁	395	377	8.82
5	B₁	495	472	0.00
6	B₂	632	604	0.00
7	B₂	332	318	0.00
8	E	939	897	289.25
8	E	939	897	289.25
9	E	569	543	12.57
9	E	569	543	12.57
10	E	433	413	0.77
10	E	433	413	0.77
11	E	262	250	0.04
11	E	262	250	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.267
Cl2	0.000	0.000	1.813
F3	0.000	1.578	-0.278
F4	1.578	0.000	-0.278
F5	0.000	-1.578	-0.278
F6	-1.578	0.000	-0.278
F7	0.000	0.000	-1.839

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0801	1.5776	1.5776	1.5776	1.5776	1.5719
Cl2	2.0801		2.6195	2.6195	2.6195	2.6195	3.6519
F3	1.5776	2.6195		2.2311	3.1552	2.2311	2.2192
F4	1.5776	2.6195	2.2311		2.2311	3.1552	2.2192
F5	1.5776	2.6195	3.1552	2.2311		2.2311	2.2192
F6	1.5776	2.6195	2.2311	3.1552	2.2311		2.2192
F7	1.5719	3.6519	2.2192	2.2192	2.2192	2.2192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.404	Cl2	S1	F4	90.404
Cl2	S1	F5	90.404	Cl2	S1	F6	90.404
Cl2	S1	F7	180.000	F3	S1	F4	89.997
F3	S1	F5	179.191	F3	S1	F6	89.997
F3	S1	F7	89.596	F4	S1	F5	89.997
F4	S1	F6	179.191	F4	S1	F7	89.596
F5	S1	F6	89.997	F5	S1	F7	89.596
F6	S1	F7	89.596

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

using model chemistry: B2PLYP/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	0.874
2	Cl	-0.169
3	F	-0.161
4	F	-0.161
5	F	-0.161
6	F	-0.161
7	F	-0.063

	x	y	z	Total
	0.000	0.000	0.083	0.083
CHELPG
AIM
ESP

<r²>	210.541
(<r²>)^1/2	14.510

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

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

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