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	hartrees
Energy at 0K	-1356.906369
Energy at 298.15K	-1356.909353
HF Energy	-1356.906369
Nuclear repulsion energy	589.222843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	843	843	267.93
2	A₁	636	636	0.01
3	A₁	472	472	115.98
4	A₁	328	328	2.20
5	B₁	343	343	0.00
6	B₂	616	616	0.00
7	B₂	240	240	0.00
8	E	917	917	232.07
8	E	917	917	232.07
9	E	407	407	26.70
9	E	407	407	26.70
10	E	301	301	4.06
10	E	301	301	4.06
11	E	185	185	0.05
11	E	185	185	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.275
Cl2	0.000	0.000	1.960
F3	0.000	1.712	-0.309
F4	1.712	0.000	-0.309
F5	0.000	-1.712	-0.309
F6	-1.712	0.000	-0.309
F7	0.000	0.000	-1.977

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.2358	1.7125	1.7125	1.7125	1.7125	1.7011
Cl2	2.2358		2.8429	2.8429	2.8429	2.8429	3.9369
F3	1.7125	2.8429		2.4214	3.4244	2.4214	2.3899
F4	1.7125	2.8429	2.4214		2.4214	3.4244	2.3899
F5	1.7125	2.8429	3.4244	2.4214		2.4214	2.3899
F6	1.7125	2.8429	2.4214	3.4244	2.4214		2.3899
F7	1.7011	3.9369	2.3899	2.3899	2.3899	2.3899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	91.128	Cl2	S1	F4	91.128
Cl2	S1	F5	91.128	Cl2	S1	F6	91.128
Cl2	S1	F7	180.000	F3	S1	F4	89.978
F3	S1	F5	177.745	F3	S1	F6	89.978
F3	S1	F7	88.872	F4	S1	F5	89.978
F4	S1	F6	177.745	F4	S1	F7	88.872
F5	S1	F6	89.978	F5	S1	F7	88.872
F6	S1	F7	88.872

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

using model chemistry: M06-2X/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	1.648
2	Cl	0.048
3	F	-0.341
4	F	-0.341
5	F	-0.341
6	F	-0.341
7	F	-0.333

	x	y	z	Total
	0.000	0.000	1.325	1.325
CHELPG
AIM
ESP

<r²>	243.922
(<r²>)^1/2	15.618

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

using model chemistry: M06-2X/6-31G

States and conformations

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