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	hartrees
Energy at 0K	-1356.893552
Energy at 298.15K	-1356.897128
HF Energy	-1356.893552
Nuclear repulsion energy	616.276396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	754	746	427.00
2	A₁	603	596	7.51
3	A₁	524	518	55.30
4	A₁	348	344	4.82
5	B₁	438	433	0.00
6	B₂	547	541	0.00
7	B₂	294	291	0.00
8	E	818	809	365.13
8	E	818	809	365.13
9	E	501	495	9.77
9	E	501	495	9.77
10	E	383	379	0.88
10	E	383	379	0.88
11	E	232	230	0.02
11	E	232	230	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.860
F3	0.000	1.640	-0.287
F4	1.640	0.000	-0.287
F5	0.000	-1.640	-0.287
F6	-1.640	0.000	-0.287
F7	0.000	0.000	-1.898

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1241	1.6403	1.6403	1.6403	1.6403	1.6338
Cl2	2.1241		2.7019	2.7019	2.7019	2.7019	3.7579
F3	1.6403	2.7019		2.3195	3.2802	2.3195	2.2988
F4	1.6403	2.7019	2.3195		2.3195	3.2802	2.2988
F5	1.6403	2.7019	3.2802	2.3195		2.3195	2.2988
F6	1.6403	2.7019	2.3195	3.2802	2.3195		2.2988
F7	1.6338	3.7579	2.2988	2.2988	2.2988	2.2988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.809	Cl2	S1	F4	90.809
Cl2	S1	F5	90.809	Cl2	S1	F6	90.809
Cl2	S1	F7	180.000	F3	S1	F4	89.989
F3	S1	F5	178.382	F3	S1	F6	89.989
F3	S1	F7	89.191	F4	S1	F5	89.989
F4	S1	F6	178.382	F4	S1	F7	89.191
F5	S1	F6	89.989	F5	S1	F7	89.191
F6	S1	F7	89.191

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

using model chemistry: PBEPBEultrafine/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	0.771
2	Cl	-0.002
3	F	-0.151
4	F	-0.151
5	F	-0.151
6	F	-0.151
7	F	-0.164

	x	y	z	Total
	0.000	0.000	0.840	0.840
CHELPG
AIM
ESP

<r²>	224.067
(<r²>)^1/2	14.969

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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