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	hartrees
Energy at 0K	-524.014803
Energy at 298.15K	-524.017110
HF Energy	-524.014803
Nuclear repulsion energy	306.284860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	709	682	220.09
2	A₁	533	513	0.06
3	A₁	419	403	65.54
4	A₁	275	265	1.85
5	B₁	318	306	0.00
6	B₂	520	500	0.00
7	B₂	212	204	0.00
8	E	748	719	243.67
8	E	748	719	243.67
9	E	368	353	14.84
9	E	368	353	14.84
10	E	274	263	3.28
10	E	274	263	3.28
11	E	166	159	0.06
11	E	166	159	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.294
Cl2	0.000	0.000	2.042
F3	0.000	1.768	-0.324
F4	1.768	0.000	-0.324
F5	0.000	-1.768	-0.324
F6	-1.768	0.000	-0.324
F7	0.000	0.000	-2.037

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3358	1.7687	1.7687	1.7687	1.7687	1.7430
Cl2	2.3358		2.9535	2.9535	2.9535	2.9535	4.0788
F3	1.7687	2.9535		2.5010	3.5369	2.5010	2.4622
F4	1.7687	2.9535	2.5010		2.5010	3.5369	2.4622
F5	1.7687	2.9535	3.5369	2.5010		2.5010	2.4622
F6	1.7687	2.9535	2.5010	3.5369	2.5010		2.4622
F7	1.7430	4.0788	2.4622	2.4622	2.4622	2.4622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.965	Cl2	S1	F4	90.965
Cl2	S1	F5	90.965	Cl2	S1	F6	90.965
Cl2	S1	F7	180.000	F3	S1	F4	89.984
F3	S1	F5	178.071	F3	S1	F6	89.984
F3	S1	F7	89.035	F4	S1	F5	89.984
F4	S1	F6	178.071	F4	S1	F7	89.035
F5	S1	F6	89.984	F5	S1	F7	89.035
F6	S1	F7	89.035

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

using model chemistry: B3LYP/LANL2DZ

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	1.434
2	Cl	0.050
3	F	-0.299
4	F	-0.299
5	F	-0.299
6	F	-0.299
7	F	-0.289

	x	y	z	Total
	0.000	0.000	1.554	1.554
CHELPG
AIM
ESP

<r²>	216.088
(<r²>)^1/2	14.700

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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