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	hartrees
Energy at 0K	-1357.316772
Energy at 298.15K	-1357.320818
HF Energy	-1357.316772
Nuclear repulsion energy	630.705650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	850	810	448.42
2	A₁	690	657	10.62
3	A₁	576	549	94.47
4	A₁	398	379	1.44
5	B₁	470	448	0.00
6	B₂	626	596	0.00
7	B₂	317	302	0.00
8	E	921	877	390.88
8	E	921	877	390.88
9	E	542	516	18.02
9	E	542	516	18.02
10	E	414	395	1.07
10	E	414	395	1.07
11	E	251	239	0.00
11	E	251	239	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.257
Cl2	0.000	0.000	1.806
F3	0.000	1.592	-0.277
F4	1.592	0.000	-0.277
F5	0.000	-1.592	-0.277
F6	-1.592	0.000	-0.277
F7	0.000	0.000	-1.845

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0630	1.5916	1.5916	1.5916	1.5916	1.5884
Cl2	2.0630		2.6217	2.6217	2.6217	2.6217	3.6514
F3	1.5916	2.6217		2.2507	3.1830	2.2507	2.2342
F4	1.5916	2.6217	2.2507		2.2507	3.1830	2.2342
F5	1.5916	2.6217	3.1830	2.2507		2.2507	2.2342
F6	1.5916	2.6217	2.2507	3.1830	2.2507		2.2342
F7	1.5884	3.6514	2.2342	2.2342	2.2342	2.2342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.731	Cl2	S1	F4	90.731
Cl2	S1	F5	90.731	Cl2	S1	F6	90.731
Cl2	S1	F7	180.000	F3	S1	F4	89.991
F3	S1	F5	178.539	F3	S1	F6	89.991
F3	S1	F7	89.269	F4	S1	F5	89.991
F4	S1	F6	178.539	F4	S1	F7	89.269
F5	S1	F6	89.991	F5	S1	F7	89.269
F6	S1	F7	89.269

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

using model chemistry: wB97X-D/6-31+G**

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	1.997
2	Cl	0.119
3	F	-0.397
4	F	-0.397
5	F	-0.397
6	F	-0.397
7	F	-0.526

	x	y	z	Total
	0.000	0.000	0.816	0.816
CHELPG
AIM
ESP

<r²>	215.158
(<r²>)^1/2	14.668

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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