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	hartrees
Energy at 0K	-1349.659980
Energy at 298.15K	-1349.662846
HF Energy	-1349.398465
Nuclear repulsion energy	591.112526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	867	867	253.48
2	A₁	630	630	2.37
3	A₁	464	464	136.66
4	A₁	285	285	0.63
5	B₁	354	354	0.00
6	B₂	630	630	0.00
7	B₂	221	221	0.00
8	E	917	917	194.41
8	E	917	917	194.41
9	E	415	415	26.73
9	E	415	415	26.73
10	E	297	297	4.47
10	E	297	297	4.47
11	E	161	161	0.81
11	E	161	161	0.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.325
Cl2	0.000	0.000	2.037
F3	0.000	1.678	-0.322
F4	1.678	0.000	-0.322
F5	0.000	-1.678	-0.322
F6	-1.678	0.000	-0.322
F7	0.000	0.000	-1.981

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3616	1.6780	1.6780	1.6780	1.6780	1.6558
Cl2	2.3616		2.8946	2.8946	2.8946	2.8946	4.0173
F3	1.6780	2.8946		2.3731	3.3560	2.3731	2.3595
F4	1.6780	2.8946	2.3731		2.3731	3.3560	2.3595
F5	1.6780	2.8946	3.3560	2.3731		2.3731	2.3595
F6	1.6780	2.8946	2.3731	3.3560	2.3731		2.3595
F7	1.6558	4.0173	2.3595	2.3595	2.3595	2.3595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	89.900	Cl2	S1	F4	89.900
Cl2	S1	F5	89.900	Cl2	S1	F6	89.900
Cl2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	179.800	F3	S1	F6	90.000
F3	S1	F7	90.100	F4	S1	F5	90.000
F4	S1	F6	179.800	F4	S1	F7	90.100
F5	S1	F6	90.000	F5	S1	F7	90.100
F6	S1	F7	90.100

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

using model chemistry: B2PLYP/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	1.766
2	Cl	-0.171
3	F	-0.317
4	F	-0.317
5	F	-0.317
6	F	-0.317
7	F	-0.326

	x	y	z	Total
	0.000	0.000	-0.708	0.708
CHELPG
AIM
ESP

<r²>	245.288
(<r²>)^1/2	15.662

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

using model chemistry: B2PLYP/3-21G

States and conformations

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