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	hartrees
Energy at 0K	-1357.702753
Energy at 298.15K	-1357.706580
HF Energy	-1357.702753
Nuclear repulsion energy	623.912184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	801	771	453.09
2	A₁	640	616	8.39
3	A₁	550	530	71.39
4	A₁	364	351	4.12
5	B₁	455	439	0.00
6	B₂	583	562	0.00
7	B₂	309	298	0.00
8	E	870	839	385.50
8	E	870	839	385.50
9	E	524	505	14.13
9	E	524	505	14.13
10	E	399	385	1.20
10	E	399	385	1.20
11	E	242	233	0.04
11	E	242	233	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.843
F3	0.000	1.618	-0.285
F4	1.618	0.000	-0.285
F5	0.000	-1.618	-0.285
F6	-1.618	0.000	-0.285
F7	0.000	0.000	-1.875

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1051	1.6182	1.6182	1.6182	1.6182	1.6128
Cl2	2.1051		2.6734	2.6734	2.6734	2.6734	3.7179
F3	1.6182	2.6734		2.2882	3.2360	2.2882	2.2683
F4	1.6182	2.6734	2.2882		2.2882	3.2360	2.2683
F5	1.6182	2.6734	3.2360	2.2882		2.2882	2.2683
F6	1.6182	2.6734	2.2882	3.2360	2.2882		2.2683
F7	1.6128	3.7179	2.2683	2.2683	2.2683	2.2683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.817	Cl2	S1	F4	90.817
Cl2	S1	F5	90.817	Cl2	S1	F6	90.817
Cl2	S1	F7	180.000	F3	S1	F4	89.988
F3	S1	F5	178.366	F3	S1	F6	89.988
F3	S1	F7	89.183	F4	S1	F5	89.988
F4	S1	F6	178.366	F4	S1	F7	89.183
F5	S1	F6	89.988	F5	S1	F7	89.183
F6	S1	F7	89.183

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

using model chemistry: TPSSh/TZVP

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	0.877
2	Cl	-0.022
3	F	-0.168
4	F	-0.168
5	F	-0.168
6	F	-0.168
7	F	-0.184

	x	y	z	Total
	0.000	0.000	0.781	0.781
CHELPG
AIM
ESP

<r²>	219.414
(<r²>)^1/2	14.813

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

using model chemistry: TPSSh/TZVP

States and conformations

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