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	hartrees
Energy at 0K	-1350.775547
Energy at 298.15K	-1350.779766
HF Energy	-1350.775547
Nuclear repulsion energy	637.668683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	953	905	421.57
2	A₁	748	711	0.91
3	A₁	591	561	146.05
4	A₁	394	374	11.00
5	B₁	477	453	0.00
6	B₂	707	672	0.00
7	B₂	323	307	0.00
8	E	1043	990	312.73
8	E	1043	990	312.73
9	E	549	521	28.95
9	E	549	521	28.95
10	E	420	399	3.26
10	E	420	399	3.26
11	E	253	241	0.24
11	E	253	241	0.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.796
F3	0.000	1.585	-0.274
F4	1.585	0.000	-0.274
F5	0.000	-1.585	-0.274
F6	-1.585	0.000	-0.274
F7	0.000	0.000	-1.838

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0552	1.5849	1.5849	1.5849	1.5849	1.5789
Cl2	2.0552		2.6071	2.6071	2.6071	2.6071	3.6341
F3	1.5849	2.6071		2.2412	3.1696	2.2412	2.2266
F4	1.5849	2.6071	2.2412		2.2412	3.1696	2.2266
F5	1.5849	2.6071	3.1696	2.2412		2.2412	2.2266
F6	1.5849	2.6071	2.2412	3.1696	2.2412		2.2266
F7	1.5789	3.6341	2.2266	2.2266	2.2266	2.2266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.537	Cl2	S1	F4	90.537
Cl2	S1	F5	90.537	Cl2	S1	F6	90.537
Cl2	S1	F7	180.000	F3	S1	F4	89.995
F3	S1	F5	178.926	F3	S1	F6	89.995
F3	S1	F7	89.463	F4	S1	F5	89.995
F4	S1	F6	178.926	F4	S1	F7	89.463
F5	S1	F6	89.995	F5	S1	F7	89.463
F6	S1	F7	89.463

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

using model chemistry: mPW1PW91/3-21G*

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	1.593
2	Cl	-0.159
3	F	-0.286
4	F	-0.286
5	F	-0.286
6	F	-0.286
7	F	-0.288

	x	y	z	Total
	0.000	0.000	0.131	0.131
CHELPG
AIM
ESP

<r²>	210.547
(<r²>)^1/2	14.510

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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