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	hartrees
Energy at 0K	-1356.816618
Energy at 298.15K	-1356.820715
HF Energy	-1356.816618
Nuclear repulsion energy	627.186114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	884	850	430.55
2	A₁	699	672	2.75
3	A₁	579	557	96.58
4	A₁	396	381	3.51
5	B₁	460	442	0.00
6	B₂	651	627	0.00
7	B₂	321	309	0.00
8	E	960	923	352.56
8	E	960	923	352.56
9	E	536	516	19.13
9	E	536	516	19.13
10	E	410	395	1.24
10	E	410	395	1.24
11	E	253	244	0.04
11	E	253	244	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.257
Cl2	0.000	0.000	1.820
F3	0.000	1.614	-0.279
F4	1.614	0.000	-0.279
F5	0.000	-1.614	-0.279
F6	-1.614	0.000	-0.279
F7	0.000	0.000	-1.865

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0766	1.6145	1.6145	1.6145	1.6145	1.6082
Cl2	2.0766		2.6477	2.6477	2.6477	2.6477	3.6849
F3	1.6145	2.6477		2.2830	3.2287	2.2830	2.2633
F4	1.6145	2.6477	2.2830		2.2830	3.2287	2.2633
F5	1.6145	2.6477	3.2287	2.2830		2.2830	2.2633
F6	1.6145	2.6477	2.2830	3.2287	2.2830		2.2633
F7	1.6082	3.6849	2.2633	2.2633	2.2633	2.2633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.779	Cl2	S1	F4	90.779
Cl2	S1	F5	90.779	Cl2	S1	F6	90.779
Cl2	S1	F7	180.000	F3	S1	F4	89.989
F3	S1	F5	178.443	F3	S1	F6	89.989
F3	S1	F7	89.221	F4	S1	F5	89.989
F4	S1	F6	178.443	F4	S1	F7	89.221
F5	S1	F6	89.989	F5	S1	F7	89.221
F6	S1	F7	89.221

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	1.266
2	Cl	-0.065
3	F	-0.239
4	F	-0.239
5	F	-0.239
6	F	-0.239
7	F	-0.244

	x	y	z	Total
	0.000	0.000	0.649	0.649
CHELPG
AIM
ESP

<r²>	216.479
(<r²>)^1/2	14.713

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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