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	hartrees
Energy at 0K	-1350.460499
Energy at 298.15K	-1350.463243
HF Energy	-1350.460499
Nuclear repulsion energy	589.184665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	846	816	248.65
2	A₁	618	596	2.34
3	A₁	452	436	121.23
4	A₁	284	274	0.60
5	B₁	343	331	0.00
6	B₂	614	592	0.00
7	B₂	214	206	0.00
8	E	899	867	194.36
8	E	899	867	194.36
9	E	403	389	23.31
9	E	403	389	23.31
10	E	288	278	3.83
10	E	288	278	3.83
11	E	156	151	0.74
11	E	156	151	0.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.324
Cl2	0.000	0.000	2.036
F3	0.000	1.686	-0.320
F4	1.686	0.000	-0.320
F5	0.000	-1.686	-0.320
F6	-1.686	0.000	-0.320
F7	0.000	0.000	-1.988

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3601	1.6855	1.6855	1.6855	1.6855	1.6641
Cl2	2.3601		2.8972	2.8972	2.8972	2.8972	4.0242
F3	1.6855	2.8972		2.3837	3.3710	2.3837	2.3712
F4	1.6855	2.8972	2.3837		2.3837	3.3710	2.3712
F5	1.6855	2.8972	3.3710	2.3837		2.3837	2.3712
F6	1.6855	2.8972	2.3837	3.3710	2.3837		2.3712
F7	1.6641	4.0242	2.3712	2.3712	2.3712	2.3712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	89.874	Cl2	S1	F4	89.874
Cl2	S1	F5	89.874	Cl2	S1	F6	89.874
Cl2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	179.748	F3	S1	F6	90.000
F3	S1	F7	90.126	F4	S1	F5	90.000
F4	S1	F6	179.748	F4	S1	F7	90.126
F5	S1	F6	90.000	F5	S1	F7	90.126
F6	S1	F7	90.126

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

using model chemistry: B3LYP/3-21G

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	1.669
2	Cl	-0.166
3	F	-0.299
4	F	-0.299
5	F	-0.299
6	F	-0.299
7	F	-0.306

	x	y	z	Total
	0.000	0.000	-0.750	0.750
CHELPG
AIM
ESP

<r²>	246.087
(<r²>)^1/2	15.687

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

using model chemistry: B3LYP/3-21G

States and conformations

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