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	hartrees
Energy at 0K	-1353.191693
Energy at 298.15K	-1353.195533
HF Energy	-1353.191693
Nuclear repulsion energy	626.294185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	832	823	384.91
2	A₁	664	656	2.74
3	A₁	551	545	73.41
4	A₁	387	382	1.43
5	B₁	434	429	0.00
6	B₂	615	608	0.00
7	B₂	302	299
8	E	912	901	312.88
8	E	912	901	312.88
9	E	508	502	11.90
9	E	508	502	11.90
10	E	386	382	0.47
10	E	386	382	0.47
11	E	238	235
11	E	238	235

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.254
Cl2	0.000	0.000	1.818
F3	0.000	1.618	-0.278
F4	1.618	0.000	-0.278
F5	0.000	-1.618	-0.278
F6	-1.618	0.000	-0.278
F7	0.000	0.000	-1.869

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0714	1.6182	1.6182	1.6182	1.6182	1.6149
Cl2	2.0714		2.6480	2.6480	2.6480	2.6480	3.6863
F3	1.6182	2.6480		2.2882	3.2361	2.2882	2.2686
F4	1.6182	2.6480	2.2882		2.2882	3.2361	2.2686
F5	1.6182	2.6480	3.2361	2.2882		2.2882	2.2686
F6	1.6182	2.6480	2.2882	3.2361	2.2882		2.2686
F7	1.6149	3.6863	2.2686	2.2686	2.2686	2.2686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.876	Cl2	S1	F4	90.876
Cl2	S1	F5	90.876	Cl2	S1	F6	90.876
Cl2	S1	F7	180.000	F3	S1	F4	89.987
F3	S1	F5	178.249	F3	S1	F6	89.987
F3	S1	F7	89.124	F4	S1	F5	89.987
F4	S1	F6	178.249	F4	S1	F7	89.124
F5	S1	F6	89.987	F5	S1	F7	89.124
F6	S1	F7	89.124

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

using model chemistry: LSDA/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	1.776
2	Cl	-0.074
3	F	-0.331
4	F	-0.331
5	F	-0.331
6	F	-0.331
7	F	-0.379

	x	y	z	Total
	0.000	0.000	0.759	0.759
CHELPG
AIM
ESP

<r²>	217.236
(<r²>)^1/2	14.739

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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