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	hartrees
Energy at 0K	-1356.819390
Energy at 298.15K	-1356.822893
HF Energy	-1356.819390
Nuclear repulsion energy	617.791152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	754	747	404.96
2	A₁	607	600	6.54
3	A₁	524	519	75.70
4	A₁	340	336	7.79
5	B₁	429	424	0.00
6	B₂	554	549	0.00
7	B₂	289	286	0.00
8	E	813	805	334.04
8	E	813	805	334.04
9	E	497	492	13.17
9	E	497	492	13.17
10	E	377	373	1.18
10	E	377	373	1.18
11	E	229	227	0.03
11	E	229	227	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.268
Cl2	0.000	0.000	1.861
F3	0.000	1.634	-0.287
F4	1.634	0.000	-0.287
F5	0.000	-1.634	-0.287
F6	-1.634	0.000	-0.287
F7	0.000	0.000	-1.893

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1290	1.6345	1.6345	1.6345	1.6345	1.6248
Cl2	2.1290		2.6987	2.6987	2.6987	2.6987	3.7538
F3	1.6345	2.6987		2.3113	3.2687	2.3113	2.2915
F4	1.6345	2.6987	2.3113		2.3113	3.2687	2.2915
F5	1.6345	2.6987	3.2687	2.3113		2.3113	2.2915
F6	1.6345	2.6987	2.3113	3.2687	2.3113		2.2915
F7	1.6248	3.7538	2.2915	2.2915	2.2915	2.2915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.650	Cl2	S1	F4	90.650
Cl2	S1	F5	90.650	Cl2	S1	F6	90.650
Cl2	S1	F7	180.000	F3	S1	F4	89.993
F3	S1	F5	178.700	F3	S1	F6	89.993
F3	S1	F7	89.350	F4	S1	F5	89.993
F4	S1	F6	178.700	F4	S1	F7	89.350
F5	S1	F6	89.993	F5	S1	F7	89.350
F6	S1	F7	89.350

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

using model chemistry: PBEPBE/6-311G*

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	1.267
2	Cl	-0.076
3	F	-0.239
4	F	-0.239
5	F	-0.239
6	F	-0.239
7	F	-0.236

	x	y	z	Total
	0.000	0.000	0.568	0.568
CHELPG
AIM
ESP

<r²>	223.512
(<r²>)^1/2	14.950

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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