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	hartrees
Energy at 0K	-1354.356924
Energy at 298.15K	-1354.361777
HF Energy	-1354.356924
Nuclear repulsion energy	653.445594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	971	880	521.96
2	A₁	815	738	33.92
3	A₁	672	609	124.25
4	A₁	447	405	5.58
5	B₁	568	515	0.00
6	B₂	713	646	0.00
7	B₂	381	345	0.00
8	E	1046	948	421.63
8	E	1046	948	421.63
9	E	650	589	25.84
9	E	650	589	25.84
10	E	494	448	1.47
10	E	494	448	1.47
11	E	299	271	0.02
11	E	299	271	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.253
Cl2	0.000	0.000	1.775
F3	0.000	1.544	-0.278
F4	1.544	0.000	-0.278
F5	0.000	-1.544	-0.278
F6	-1.544	0.000	-0.278
F7	0.000	0.000	-1.792

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0277	1.5439	1.5439	1.5439	1.5439	1.5390
Cl2	2.0277		2.5689	2.5689	2.5689	2.5689	3.5667
F3	1.5439	2.5689		2.1831	3.0874	2.1831	2.1618
F4	1.5439	2.5689	2.1831		2.1831	3.0874	2.1618
F5	1.5439	2.5689	3.0874	2.1831		2.1831	2.1618
F6	1.5439	2.5689	2.1831	3.0874	2.1831		2.1618
F7	1.5390	3.5667	2.1618	2.1618	2.1618	2.1618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.951	Cl2	S1	F4	90.951
Cl2	S1	F5	90.951	Cl2	S1	F6	90.951
Cl2	S1	F7	180.000	F3	S1	F4	89.984
F3	S1	F5	178.098	F3	S1	F6	89.984
F3	S1	F7	89.049	F4	S1	F5	89.984
F4	S1	F6	178.098	F4	S1	F7	89.049
F5	S1	F6	89.984	F5	S1	F7	89.049
F6	S1	F7	89.049

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

using model chemistry: HF/Def2TZVPP

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	1.398
2	Cl	-0.129
3	F	-0.251
4	F	-0.251
5	F	-0.251
6	F	-0.251
7	F	-0.267

	x	y	z	Total
	0.000	0.000	0.410	0.410
CHELPG
AIM
ESP

<r²>	202.953
(<r²>)^1/2	14.246

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

using model chemistry: HF/Def2TZVPP

States and conformations

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