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	hartrees
Energy at 0K	-1356.995000
Energy at 298.15K	-1356.999246
HF Energy	-1356.995000
Nuclear repulsion energy	637.110899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	864	830	447.08
2	A₁	710	682	14.92
3	A₁	595	572	86.28
4	A₁	399	383	5.36
5	B₁	492	473	0.00
6	B₂	634	610	0.00
7	B₂	331	319	0.00
8	E	929	893	354.22
8	E	929	893	354.22
9	E	568	546	15.17
9	E	568	546	15.17
10	E	432	415	0.91
10	E	432	415	0.91
11	E	263	253	0.01
11	E	263	253	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.260
Cl2	0.000	0.000	1.806
F3	0.000	1.584	-0.278
F4	1.584	0.000	-0.278
F5	0.000	-1.584	-0.278
F6	-1.584	0.000	-0.278
F7	0.000	0.000	-1.838

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0666	1.5837	1.5837	1.5837	1.5837	1.5775
Cl2	2.0666		2.6175	2.6175	2.6175	2.6175	3.6442
F3	1.5837	2.6175		2.2396	3.1672	2.2396	2.2229
F4	1.5837	2.6175	2.2396		2.2396	3.1672	2.2229
F5	1.5837	2.6175	3.1672	2.2396		2.2396	2.2229
F6	1.5837	2.6175	2.2396	3.1672	2.2396		2.2229
F7	1.5775	3.6442	2.2229	2.2229	2.2229	2.2229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.633	Cl2	S1	F4	90.633
Cl2	S1	F5	90.633	Cl2	S1	F6	90.633
Cl2	S1	F7	180.000	F3	S1	F4	89.993
F3	S1	F5	178.734	F3	S1	F6	89.993
F3	S1	F7	89.367	F4	S1	F5	89.993
F4	S1	F6	178.734	F4	S1	F7	89.367
F5	S1	F6	89.993	F5	S1	F7	89.367
F6	S1	F7	89.367

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

using model chemistry: PBE1PBE/cc-pVTZ

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	1.005
2	Cl	-0.095
3	F	-0.183
4	F	-0.183
5	F	-0.183
6	F	-0.183
7	F	-0.178

	x	y	z	Total
	0.000	0.000	0.440	0.440
CHELPG
AIM
ESP

<r²>	211.049
(<r²>)^1/2	14.528

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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