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	hartrees
Energy at 0K	-1356.959016
Energy at 298.15K	-1356.962753
HF Energy	-1356.959016
Nuclear repulsion energy	623.893047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	776	767	395.40
2	A₁	635	628	11.89
3	A₁	541	535	57.58
4	A₁	358	354	5.65
5	B₁	449	444	0.00
6	B₂	567	561	0.00
7	B₂	300	297	0.00
8	E	832	823	312.89
8	E	832	823	312.89
9	E	518	512	8.29
9	E	518	512	8.29
10	E	393	389	0.43
10	E	393	389	0.43
11	E	238	236	0.00
11	E	238	236	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.263
Cl2	0.000	0.000	1.839
F3	0.000	1.619	-0.283
F4	1.619	0.000	-0.283
F5	0.000	-1.619	-0.283
F6	-1.619	0.000	-0.283
F7	0.000	0.000	-1.875

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1024	1.6195	1.6195	1.6195	1.6195	1.6120
Cl2	2.1024		2.6690	2.6690	2.6690	2.6690	3.7144
F3	1.6195	2.6690		2.2902	3.2388	2.2902	2.2715
F4	1.6195	2.6690	2.2902		2.2902	3.2388	2.2715
F5	1.6195	2.6690	3.2388	2.2902		2.2902	2.2715
F6	1.6195	2.6690	2.2902	3.2388	2.2902		2.2715
F7	1.6120	3.7144	2.2715	2.2715	2.2715	2.2715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.676	Cl2	S1	F4	90.676
Cl2	S1	F5	90.676	Cl2	S1	F6	90.676
Cl2	S1	F7	180.000	F3	S1	F4	89.992
F3	S1	F5	178.649	F3	S1	F6	89.992
F3	S1	F7	89.324	F4	S1	F5	89.992
F4	S1	F6	178.649	F4	S1	F7	89.324
F5	S1	F6	89.992	F5	S1	F7	89.324
F6	S1	F7	89.324

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	2.312
2	Cl	-0.227
3	F	-0.412
4	F	-0.412
5	F	-0.412
6	F	-0.412
7	F	-0.438

	x	y	z	Total
	0.000	0.000	0.543	0.543
CHELPG
AIM
ESP

<r²>	219.054
(<r²>)^1/2	14.800

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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