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	hartrees
Energy at 0K	-1340.634905
Energy at 298.15K	-1340.637641
HF Energy	-1340.634905
Nuclear repulsion energy	593.750672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	939	939	200.64
2	A₁	686	686	0.09
3	A₁	482	482	96.89
4	A₁	353	353	2.25
5	B₁	351	351	0.00
6	B₂	679	679	0.00
7	B₂	240	240	0.00
8	E	1032	1032	130.22
8	E	1032	1032	130.22
9	E	406	406	30.51
9	E	406	406	30.51
10	E	312	312	2.18
10	E	312	312	2.18
11	E	198	198	1.50
11	E	198	198	1.50

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.293
Cl2	0.000	0.000	1.954
F3	0.000	1.692	-0.297
F4	1.692	0.000	-0.297
F5	0.000	-1.692	-0.297
F6	-1.692	0.000	-0.297
F7	0.000	0.000	-1.981

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.2466	1.6919	1.6919	1.6919	1.6919	1.6885
Cl2	2.2466		2.8162	2.8162	2.8162	2.8162	3.9351
F3	1.6919	2.8162		2.3927	3.3838	2.3927	2.3869
F4	1.6919	2.8162	2.3927		2.3927	3.3838	2.3869
F5	1.6919	2.8162	3.3838	2.3927		2.3927	2.3869
F6	1.6919	2.8162	2.3927	3.3838	2.3927		2.3869
F7	1.6885	3.9351	2.3869	2.3869	2.3869	2.3869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.160	Cl2	S1	F4	90.160
Cl2	S1	F5	90.160	Cl2	S1	F6	90.160
Cl2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	179.680	F3	S1	F6	90.000
F3	S1	F7	89.840	F4	S1	F5	90.000
F4	S1	F6	179.680	F4	S1	F7	89.840
F5	S1	F6	90.000	F5	S1	F7	89.840
F6	S1	F7	89.840

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

using model chemistry: M06-2X/STO-3G

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	1.145
2	Cl	-0.361
3	F	-0.155
4	F	-0.155
5	F	-0.155
6	F	-0.155
7	F	-0.165

	x	y	z	Total
	0.000	0.000	-2.916	2.916
CHELPG
AIM
ESP

<r²>	237.010
(<r²>)^1/2	15.395

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

using model chemistry: M06-2X/STO-3G

States and conformations

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