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	hartrees
Energy at 0K	-1357.539251
Energy at 298.15K	-1357.543342
HF Energy	-1357.539251
Nuclear repulsion energy	629.568632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	834	797	478.94
2	A₁	675	645	10.98
3	A₁	578	552	79.48
4	A₁	393	375	2.39
5	B₁	481	460	0.00
6	B₂	611	583	0.00
7	B₂	325	310	0.00
8	E	906	865	407.38
8	E	906	865	407.38
9	E	552	527	17.63
9	E	552	527	17.63
10	E	421	402	1.41
10	E	421	402	1.41
11	E	254	243	0.05
11	E	254	243	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.260
Cl2	0.000	0.000	1.810
F3	0.000	1.591	-0.277
F4	1.591	0.000	-0.277
F5	0.000	-1.591	-0.277
F6	-1.591	0.000	-0.277
F7	0.000	0.000	-1.848

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0704	1.5909	1.5909	1.5909	1.5909	1.5883
Cl2	2.0704		2.6246	2.6246	2.6246	2.6246	3.6587
F3	1.5909	2.6246		2.2497	3.1816	2.2497	2.2359
F4	1.5909	2.6246	2.2497		2.2497	3.1816	2.2359
F5	1.5909	2.6246	3.1816	2.2497		2.2497	2.2359
F6	1.5909	2.6246	2.2497	3.1816	2.2497		2.2359
F7	1.5883	3.6587	2.2359	2.2359	2.2359	2.2359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.618	Cl2	S1	F4	90.618
Cl2	S1	F5	90.618	Cl2	S1	F6	90.618
Cl2	S1	F7	180.000	F3	S1	F4	89.993
F3	S1	F5	178.764	F3	S1	F6	89.993
F3	S1	F7	89.382	F4	S1	F5	89.993
F4	S1	F6	178.764	F4	S1	F7	89.382
F5	S1	F6	89.993	F5	S1	F7	89.382
F6	S1	F7	89.382

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

using model chemistry: wB97X-D/TZVP

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	0.933
2	Cl	-0.020
3	F	-0.179
4	F	-0.179
5	F	-0.179
6	F	-0.179
7	F	-0.196

	x	y	z	Total
	0.000	0.000	0.775	0.775
CHELPG
AIM
ESP

<r²>	216.117
(<r²>)^1/2	14.701

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

using model chemistry: wB97X-D/TZVP

States and conformations

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