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	hartrees
Energy at 0K	-1357.429083
Energy at 298.15K	-1357.433361
HF Energy	-1357.429083
Nuclear repulsion energy	640.491144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	877	837	404.07
2	A₁	716	684	9.04
3	A₁	601	574	83.14
4	A₁	400	382	8.75
5	B₁	500	477	0.00
6	B₂	643	614	0.00
7	B₂	335	320	0.00
8	E	954	911	294.36
8	E	954	911	294.36
9	E	575	549	12.96
9	E	575	549	12.96
10	E	437	417	0.74
10	E	437	417	0.74
11	E	265	253	0.04
11	E	265	253	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.265
Cl2	0.000	0.000	1.805
F3	0.000	1.572	-0.277
F4	1.572	0.000	-0.277
F5	0.000	-1.572	-0.277
F6	-1.572	0.000	-0.277
F7	0.000	0.000	-1.832

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0697	1.5717	1.5717	1.5717	1.5717	1.5670
Cl2	2.0697		2.6082	2.6082	2.6082	2.6082	3.6367
F3	1.5717	2.6082		2.2227	3.1433	2.2227	2.2110
F4	1.5717	2.6082	2.2227		2.2227	3.1433	2.2110
F5	1.5717	2.6082	3.1433	2.2227		2.2227	2.2110
F6	1.5717	2.6082	2.2227	3.1433	2.2227		2.2110
F7	1.5670	3.6367	2.2110	2.2110	2.2110	2.2110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.431	Cl2	S1	F4	90.431
Cl2	S1	F5	90.431	Cl2	S1	F6	90.431
Cl2	S1	F7	180.000	F3	S1	F4	89.997
F3	S1	F5	179.138	F3	S1	F6	89.997
F3	S1	F7	89.569	F4	S1	F5	89.997
F4	S1	F6	179.138	F4	S1	F7	89.569
F5	S1	F6	89.997	F5	S1	F7	89.569
F6	S1	F7	89.569

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.740
2	Cl	-0.157
3	F	-0.135
4	F	-0.135
5	F	-0.135
6	F	-0.135
7	F	-0.044

	x	y	z	Total
	0.000	0.000	0.061	0.061
CHELPG
AIM
ESP

<r²>	208.799
(<r²>)^1/2	14.450

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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