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	hartrees
Energy at 0K	-1357.512076
Energy at 298.15K	-1357.516392
HF Energy	-1357.512076
Nuclear repulsion energy	642.747177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	889	852	403.92
2	A₁	727	696	9.09
3	A₁	605	579	88.92
4	A₁	406	388	7.49
5	B₁	501	480	0.00
6	B₂	652	625	0.00
7	B₂	338	324	0.00
8	E	967	926	296.67
8	E	967	926	296.67
9	E	577	552	14.02
9	E	577	552	14.02
10	E	438	419	0.84
10	E	438	419	0.84
11	E	266	255	0.04
11	E	266	255	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.263
Cl2	0.000	0.000	1.796
F3	0.000	1.567	-0.275
F4	1.567	0.000	-0.275
F5	0.000	-1.567	-0.275
F6	-1.567	0.000	-0.275
F7	0.000	0.000	-1.825

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0585	1.5672	1.5672	1.5672	1.5672	1.5624
Cl2	2.0585		2.5972	2.5972	2.5972	2.5972	3.6209
F3	1.5672	2.5972		2.2163	3.1343	2.2163	2.2040
F4	1.5672	2.5972	2.2163		2.2163	3.1343	2.2040
F5	1.5672	2.5972	3.1343	2.2163		2.2163	2.2040
F6	1.5672	2.5972	2.2163	3.1343	2.2163		2.2040
F7	1.5624	3.6209	2.2040	2.2040	2.2040	2.2040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.462	Cl2	S1	F4	90.462
Cl2	S1	F5	90.462	Cl2	S1	F6	90.462
Cl2	S1	F7	180.000	F3	S1	F4	89.996
F3	S1	F5	179.075	F3	S1	F6	89.996
F3	S1	F7	89.538	F4	S1	F5	89.996
F4	S1	F6	179.075	F4	S1	F7	89.538
F5	S1	F6	89.996	F5	S1	F7	89.538
F6	S1	F7	89.538

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

using model chemistry: B1B95/6-31G(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	0.661
2	Cl	-0.148
3	F	-0.119
4	F	-0.119
5	F	-0.119
6	F	-0.119
7	F	-0.038

	x	y	z	Total
	0.000	0.000	0.110	0.110
CHELPG
AIM
ESP

<r²>	207.407
(<r²>)^1/2	14.402

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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