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	hartrees
Energy at 0K	-1357.349029
Energy at 298.15K	-1357.352935
HF Energy	-1357.349029
Nuclear repulsion energy	628.016849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	810	780	443.54
2	A₁	652	628	10.50
3	A₁	562	542	89.99
4	A₁	373	359	4.92
5	B₁	460	443	0.00
6	B₂	593	571	0.00
7	B₂	312	301	0.00
8	E	869	837	368.71
8	E	869	837	368.71
9	E	534	514	18.15
9	E	534	514	18.15
10	E	405	390	1.60
10	E	405	390	1.60
11	E	246	237	0.04
11	E	246	237	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.831
F3	0.000	1.608	-0.283
F4	1.608	0.000	-0.283
F5	0.000	-1.608	-0.283
F6	-1.608	0.000	-0.283
F7	0.000	0.000	-1.861

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0930	1.6080	1.6080	1.6080	1.6080	1.5990
Cl2	2.0930		2.6561	2.6561	2.6561	2.6561	3.6920
F3	1.6080	2.6561		2.2738	3.2157	2.2738	2.2527
F4	1.6080	2.6561	2.2738		2.2738	3.2157	2.2527
F5	1.6080	2.6561	3.2157	2.2738		2.2738	2.2527
F6	1.6080	2.6561	2.2738	3.2157	2.2738		2.2527
F7	1.5990	3.6920	2.2527	2.2527	2.2527	2.2527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.757	Cl2	S1	F4	90.757
Cl2	S1	F5	90.757	Cl2	S1	F6	90.757
Cl2	S1	F7	180.000	F3	S1	F4	89.990
F3	S1	F5	178.486	F3	S1	F6	89.990
F3	S1	F7	89.243	F4	S1	F5	89.990
F4	S1	F6	178.486	F4	S1	F7	89.243
F5	S1	F6	89.990	F5	S1	F7	89.243
F6	S1	F7	89.243

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

using model chemistry: B3PW91/6-311G**

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	1.415
2	Cl	-0.077
3	F	-0.268
4	F	-0.268
5	F	-0.268
6	F	-0.268
7	F	-0.265

	x	y	z	Total
	0.000	0.000	0.682	0.682
CHELPG
AIM
ESP

<r²>	217.232
(<r²>)^1/2	14.739

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

using model chemistry: B3PW91/6-311G**

States and conformations

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