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	hartrees
Energy at 0K	-1357.562813
Energy at 298.15K	-1357.566874
HF Energy	-1357.562813
Nuclear repulsion energy	629.323190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	865	828	408.84
2	A₁	690	661	4.03
3	A₁	576	552	81.43
4	A₁	398	382	1.27
5	B₁	454	435	0.00
6	B₂	639	612	0.00
7	B₂	321	307	0.00
8	E	943	904	329.88
8	E	943	904	329.88
9	E	532	509	14.42
9	E	532	509	14.42
10	E	404	387	0.61
10	E	404	387	0.61
11	E	251	241	0.00
11	E	251	241	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.254
Cl2	0.000	0.000	1.813
F3	0.000	1.609	-0.279
F4	1.609	0.000	-0.279
F5	0.000	-1.609	-0.279
F6	-1.609	0.000	-0.279
F7	0.000	0.000	-1.859

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0669	1.6090	1.6090	1.6090	1.6090	1.6057
Cl2	2.0669		2.6389	2.6389	2.6389	2.6389	3.6726
F3	1.6090	2.6389		2.2752	3.2176	2.2752	2.2555
F4	1.6090	2.6389	2.2752		2.2752	3.2176	2.2555
F5	1.6090	2.6389	3.2176	2.2752		2.2752	2.2555
F6	1.6090	2.6389	2.2752	3.2176	2.2752		2.2555
F7	1.6057	3.6726	2.2555	2.2555	2.2555	2.2555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.885	Cl2	S1	F4	90.885
Cl2	S1	F5	90.885	Cl2	S1	F6	90.885
Cl2	S1	F7	180.000	F3	S1	F4	89.986
F3	S1	F5	178.229	F3	S1	F6	89.986
F3	S1	F7	89.115	F4	S1	F5	89.986
F4	S1	F6	178.229	F4	S1	F7	89.115
F5	S1	F6	89.986	F5	S1	F7	89.115
F6	S1	F7	89.115

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

using model chemistry: B1B95/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	2.183
2	Cl	-0.118
3	F	-0.401
4	F	-0.401
5	F	-0.401
6	F	-0.401
7	F	-0.462

	x	y	z	Total
	0.000	0.000	0.795	0.795
CHELPG
AIM
ESP

<r²>	215.369
(<r²>)^1/2	14.675

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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