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	hartrees
Energy at 0K	-1357.553969
Energy at 298.15K	-1357.557768
HF Energy	-1357.553969
Nuclear repulsion energy	624.624124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	781	770	422.99
2	A₁	638	629	12.65
3	A₁	550	543	57.85
4	A₁	340	336	10.10
5	B₁	462	455	0.00
6	B₂	572	564	0.00
7	B₂	306	301	0.00
8	E	841	829	339.02
8	E	841	829	339.02
9	E	530	522	8.13
9	E	530	522	8.13
10	E	402	397	0.54
10	E	402	397	0.54
11	E	243	240	0.01
11	E	243	240	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.270
Cl2	0.000	0.000	1.848
F3	0.000	1.613	-0.284
F4	1.613	0.000	-0.284
F5	0.000	-1.613	-0.284
F6	-1.613	0.000	-0.284
F7	0.000	0.000	-1.875

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1181	1.6133	1.6133	1.6133	1.6133	1.6049
Cl2	2.1181		2.6741	2.6741	2.6741	2.6741	3.7230
F3	1.6133	2.6741		2.2815	3.2265	2.2815	2.2654
F4	1.6133	2.6741	2.2815		2.2815	3.2265	2.2654
F5	1.6133	2.6741	3.2265	2.2815		2.2815	2.2654
F6	1.6133	2.6741	2.2815	3.2265	2.2815		2.2654
F7	1.6049	3.7230	2.2654	2.2654	2.2654	2.2654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.354	Cl2	S1	F4	90.354
Cl2	S1	F5	90.354	Cl2	S1	F6	90.354
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.292	F3	S1	F6	89.998
F3	S1	F7	89.646	F4	S1	F5	89.998
F4	S1	F6	179.292	F4	S1	F7	89.646
F5	S1	F6	89.998	F5	S1	F7	89.646
F6	S1	F7	89.646

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

using model chemistry: B97D3/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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Number	Element	Mulliken
1	S	1.041
2	Cl	-0.105
3	F	-0.189
4	F	-0.189
5	F	-0.189
6	F	-0.189
7	F	-0.181

	x	y	z	Total
	0.000	0.000	0.373	0.373
CHELPG
AIM
ESP

<r²>	218.451
(<r²>)^1/2	14.780

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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