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	hartrees
Energy at 0K	-1349.633744
Energy at 298.15K	-1349.636160
HF Energy	-1349.633744
Nuclear repulsion energy	582.037432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	798	790	218.16
2	A₁	584	579	2.70
3	A₁	419	415	90.97
4	A₁	266	264	1.27
5	B₁	322	319	0.00
6	B₂	580	574	0.00
7	B₂	195	194	0.00
8	E	859	851	176.15
8	E	859	851	176.15
9	E	375	372	17.51
9	E	375	372	17.51
10	E	268	266	2.68
10	E	268	266	2.68
11	E	144	143	0.75
11	E	144	143	0.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.331
Cl2	0.000	0.000	2.059
F3	0.000	1.706	-0.320
F4	1.706	0.000	-0.320
F5	0.000	-1.706	-0.320
F6	-1.706	0.000	-0.320
F7	0.000	0.000	-2.018

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3904	1.7056	1.7056	1.7056	1.7056	1.6869
Cl2	2.3904		2.9276	2.9276	2.9276	2.9276	4.0774
F3	1.7056	2.9276		2.4120	3.4111	2.4120	2.4066
F4	1.7056	2.9276	2.4120		2.4120	3.4111	2.4066
F5	1.7056	2.9276	3.4111	2.4120		2.4120	2.4066
F6	1.7056	2.9276	2.4120	3.4111	2.4120		2.4066
F7	1.6869	4.0774	2.4066	2.4066	2.4066	2.4066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	89.631	Cl2	S1	F4	89.631
Cl2	S1	F5	89.631	Cl2	S1	F6	89.631
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.262	F3	S1	F6	89.998
F3	S1	F7	90.369	F4	S1	F5	89.998
F4	S1	F6	179.262	F4	S1	F7	90.369
F5	S1	F6	89.998	F5	S1	F7	90.369
F6	S1	F7	90.369

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

using model chemistry: PBEPBE/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	1.489
2	Cl	-0.177
3	F	-0.261
4	F	-0.261
5	F	-0.261
6	F	-0.261
7	F	-0.269

	x	y	z	Total
	0.000	0.000	-1.082	1.082
CHELPG
AIM
ESP

<r²>	251.102
(<r²>)^1/2	15.846

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

using model chemistry: PBEPBE/3-21G

States and conformations

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