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	hartrees
Energy at 0K	-1357.291009
Energy at 298.15K	-1357.295252
HF Energy	-1357.291009
Nuclear repulsion energy	630.284604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	909	909	451.17
2	A₁	723	723	4.43
3	A₁	595	595	108.61
4	A₁	411	411	1.93
5	B₁	474	474	0.00
6	B₂	668	668	0.00
7	B₂	332	332	0.00
8	E	982	982	367.95
8	E	982	982	367.95
9	E	553	553	22.25
9	E	553	553	22.25
10	E	422	422	1.54
10	E	422	422	1.54
11	E	260	260	0.04
11	E	260	260	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.256
Cl2	0.000	0.000	1.814
F3	0.000	1.606	-0.279
F4	1.606	0.000	-0.279
F5	0.000	-1.606	-0.279
F6	-1.606	0.000	-0.279
F7	0.000	0.000	-1.855

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0702	1.6057	1.6057	1.6057	1.6057	1.5987
Cl2	2.0702		2.6377	2.6377	2.6377	2.6377	3.6688
F3	1.6057	2.6377		2.2706	3.2111	2.2706	2.2499
F4	1.6057	2.6377	2.2706		2.2706	3.2111	2.2499
F5	1.6057	2.6377	3.2111	2.2706		2.2706	2.2499
F6	1.6057	2.6377	2.2706	3.2111	2.2706		2.2499
F7	1.5987	3.6688	2.2499	2.2499	2.2499	2.2499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.805	Cl2	S1	F4	90.805
Cl2	S1	F5	90.805	Cl2	S1	F6	90.805
Cl2	S1	F7	180.000	F3	S1	F4	89.989
F3	S1	F5	178.391	F3	S1	F6	89.989
F3	S1	F7	89.195	F4	S1	F5	89.989
F4	S1	F6	178.391	F4	S1	F7	89.195
F5	S1	F6	89.989	F5	S1	F7	89.195
F6	S1	F7	89.195

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

using model chemistry: M06-2X/cc-pVDZ

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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Number	Element	Mulliken
1	S	1.312
2	Cl	-0.059
3	F	-0.250
4	F	-0.250
5	F	-0.250
6	F	-0.250
7	F	-0.253

	x	y	z	Total
	0.000	0.000	0.705	0.705
CHELPG
AIM
ESP

<r²>	214.928
(<r²>)^1/2	14.660

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

using model chemistry: M06-2X/cc-pVDZ

States and conformations

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