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	hartrees
Energy at 0K	-1357.773388
Energy at 298.15K	-1357.777383
HF Energy	-1357.773388
Nuclear repulsion energy	631.249093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	823	794	411.90
2	A₁	674	650	13.15
3	A₁	568	549	73.25
4	A₁	375	362	4.93
5	B₁	468	452	0.00
6	B₂	604	583	0.00
7	B₂	316	305	0.00
8	E	884	853	323.76
8	E	884	853	323.76
9	E	542	523	11.69
9	E	542	523	11.69
10	E	411	396	0.63
10	E	411	396	0.63
11	E	250	242	0.00
11	E	250	242	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.261
Cl2	0.000	0.000	1.822
F3	0.000	1.599	-0.281
F4	1.599	0.000	-0.281
F5	0.000	-1.599	-0.281
F6	-1.599	0.000	-0.281
F7	0.000	0.000	-1.854

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0832	1.5991	1.5991	1.5991	1.5991	1.5927
Cl2	2.0832		2.6415	2.6415	2.6415	2.6415	3.6758
F3	1.5991	2.6415		2.2612	3.1979	2.2612	2.2431
F4	1.5991	2.6415	2.2612		2.2612	3.1979	2.2431
F5	1.5991	2.6415	3.1979	2.2612		2.2612	2.2431
F6	1.5991	2.6415	2.2612	3.1979	2.2612		2.2431
F7	1.5927	3.6758	2.2431	2.2431	2.2431	2.2431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.698	Cl2	S1	F4	90.698
Cl2	S1	F5	90.698	Cl2	S1	F6	90.698
Cl2	S1	F7	180.000	F3	S1	F4	89.991
F3	S1	F5	178.604	F3	S1	F6	89.991
F3	S1	F7	89.302	F4	S1	F5	89.991
F4	S1	F6	178.604	F4	S1	F7	89.302
F5	S1	F6	89.991	F5	S1	F7	89.302
F6	S1	F7	89.302

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

using model chemistry: TPSSh/aug-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	2.411
2	Cl	-0.247
3	F	-0.430
4	F	-0.430
5	F	-0.430
6	F	-0.430
7	F	-0.444

	x	y	z	Total
	0.000	0.000	0.502	0.502
CHELPG
AIM
ESP

<r²>	214.605
(<r²>)^1/2	14.649

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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