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	hartrees
Energy at 0K	-1356.810293
Energy at 298.15K	-1356.814327
HF Energy	-1356.810293
Nuclear repulsion energy	627.406235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	854	821	407.54
2	A₁	682	656	3.92
3	A₁	572	550	77.06
4	A₁	398	383	1.56
5	B₁	454	436	0.00
6	B₂	631	607	0.00
7	B₂	318	306	0.00
8	E	932	896	326.08
8	E	932	896	326.08
9	E	530	510	13.26
9	E	530	510	13.26
10	E	404	389	0.52
10	E	404	389	0.52
11	E	250	240	0.00
11	E	250	240	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.255
Cl2	0.000	0.000	1.818
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		2.0730	1.6139	1.6139	1.6139	1.6139	1.6108
Cl2	2.0730		2.6464	2.6464	2.6464	2.6464	3.6838
F3	1.6139	2.6464		2.2822	3.2275	2.2822	2.2629
F4	1.6139	2.6464	2.2822		2.2822	3.2275	2.2629
F5	1.6139	2.6464	3.2275	2.2822		2.2822	2.2629
F6	1.6139	2.6464	2.2822	3.2275	2.2822		2.2629
F7	1.6108	3.6838	2.2629	2.2629	2.2629	2.2629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.867	Cl2	S1	F4	90.867
Cl2	S1	F5	90.867	Cl2	S1	F6	90.867
Cl2	S1	F7	180.000	F3	S1	F4	89.987
F3	S1	F5	178.266	F3	S1	F6	89.987
F3	S1	F7	89.133	F4	S1	F5	89.987
F4	S1	F6	178.266	F4	S1	F7	89.133
F5	S1	F6	89.987	F5	S1	F7	89.133
F6	S1	F7	89.133

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

using model chemistry: PBE1PBE/aug-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	2.350
2	Cl	-0.155
3	F	-0.426
4	F	-0.426
5	F	-0.426
6	F	-0.426
7	F	-0.490

	x	y	z	Total
	0.000	0.000	0.759	0.759
CHELPG
AIM
ESP

<r²>	216.586
(<r²>)^1/2	14.717

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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