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	hartrees
Energy at 0K	-1350.732754
Energy at 298.15K	-1350.736998
HF Energy	-1350.732754
Nuclear repulsion energy	636.609674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	953	903	427.21
2	A₁	751	712	1.03
3	A₁	597	565	147.76
4	A₁	398	377	9.13
5	B₁	479	454	0.00
6	B₂	708	671	0.00
7	B₂	325	308	0.00
8	E	1041	986	319.68
8	E	1041	986	319.68
9	E	552	523	30.33
9	E	552	523	30.33
10	E	422	400	3.22
10	E	422	400	3.22
11	E	255	242	0.25
11	E	255	242	0.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.786
F3	0.000	1.583	-0.267
F4	1.583	0.000	-0.267
F5	0.000	-1.583	-0.267
F6	-1.583	0.000	-0.267
F7	0.000	0.000	-1.842

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0478	1.5828	1.5828	1.5828	1.5828	1.5797
Cl2	2.0478		2.5919	2.5919	2.5919	2.5919	3.6274
F3	1.5828	2.5919		2.2385	3.1657	2.2385	2.2330
F4	1.5828	2.5919	2.2385		2.2385	3.1657	2.2330
F5	1.5828	2.5919	3.1657	2.2385		2.2385	2.2330
F6	1.5828	2.5919	2.2385	3.1657	2.2385		2.2330
F7	1.5797	3.6274	2.2330	2.2330	2.2330	2.2330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.168	Cl2	S1	F4	90.168
Cl2	S1	F5	90.168	Cl2	S1	F6	90.168
Cl2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	179.664	F3	S1	F6	90.000
F3	S1	F7	89.832	F4	S1	F5	90.000
F4	S1	F6	179.664	F4	S1	F7	89.832
F5	S1	F6	90.000	F5	S1	F7	89.832
F6	S1	F7	89.832

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

using model chemistry: wB97X-D/3-21G*

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	1.617
2	Cl	-0.163
3	F	-0.290
4	F	-0.290
5	F	-0.290
6	F	-0.290
7	F	-0.292

	x	y	z	Total
	0.000	0.000	0.147	0.147
CHELPG
AIM
ESP

<r²>	211.218
(<r²>)^1/2	14.533

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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