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	hartrees
Energy at 0K	-1357.521597
Energy at 298.15K	-1357.525687
HF Energy	-1357.521597
Nuclear repulsion energy	635.596415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	850	821	388.33
2	A₁	691	666	7.00
3	A₁	580	559	78.23
4	A₁	383	369	9.53
5	B₁	480	464	0.00
6	B₂	623	602	0.00
7	B₂	323	311	0.00
8	E	926	893	283.16
8	E	926	893	283.16
9	E	553	534	11.49
9	E	553	534	11.49
10	E	420	405	0.71
10	E	420	405	0.71
11	E	255	246	0.05
11	E	255	246	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.796
F3	0.000	1.579	-0.271
F4	1.579	0.000	-0.271
F5	0.000	-1.579	-0.271
F6	-1.579	0.000	-0.271
F7	0.000	0.000	-1.840

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0598	1.5792	1.5792	1.5792	1.5792	1.5761
Cl2	2.0598		2.6008	2.6008	2.6008	2.6008	3.6359
F3	1.5792	2.6008		2.2334	3.1584	2.2334	2.2264
F4	1.5792	2.6008	2.2334		2.2334	3.1584	2.2264
F5	1.5792	2.6008	3.1584	2.2334		2.2334	2.2264
F6	1.5792	2.6008	2.2334	3.1584	2.2334		2.2264
F7	1.5761	3.6359	2.2264	2.2264	2.2264	2.2264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.244	Cl2	S1	F4	90.244
Cl2	S1	F5	90.244	Cl2	S1	F6	90.244
Cl2	S1	F7	180.000	F3	S1	F4	89.999
F3	S1	F5	179.512	F3	S1	F6	89.999
F3	S1	F7	89.756	F4	S1	F5	89.999
F4	S1	F6	179.512	F4	S1	F7	89.756
F5	S1	F6	89.999	F5	S1	F7	89.756
F6	S1	F7	89.756

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

using model chemistry: TPSSh/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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All results from a given calculation for SF5Cl (sulfur chloropentafluoride)

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

States and conformations

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