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	hartrees
Energy at 0K	-1357.352088
Energy at 298.15K	-1357.356178
HF Energy	-1357.352088
Nuclear repulsion energy	632.858889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	885	842	407.33
2	A₁	710	676	3.16
3	A₁	580	552	101.04
4	A₁	393	374	4.16
5	B₁	470	448	0.00
6	B₂	657	625	0.00
7	B₂	319	303	0.00
8	E	969	922	336.38
8	E	969	922	336.38
9	E	541	515	17.42
9	E	541	515	17.42
10	E	414	394	1.70
10	E	414	394	1.70
11	E	251	239	0.09
11	E	251	239	0.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.258
Cl2	0.000	0.000	1.813
F3	0.000	1.597	-0.279
F4	1.597	0.000	-0.279
F5	0.000	-1.597	-0.279
F6	-1.597	0.000	-0.279
F7	0.000	0.000	-1.849

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0708	1.5966	1.5966	1.5966	1.5966	1.5909
Cl2	2.0708		2.6312	2.6312	2.6312	2.6312	3.6616
F3	1.5966	2.6312		2.2578	3.1930	2.2578	2.2392
F4	1.5966	2.6312	2.2578		2.2578	3.1930	2.2392
F5	1.5966	2.6312	3.1930	2.2578		2.2578	2.2392
F6	1.5966	2.6312	2.2578	3.1930	2.2578		2.2392
F7	1.5909	3.6616	2.2392	2.2392	2.2392	2.2392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.746	Cl2	S1	F4	90.746
Cl2	S1	F5	90.746	Cl2	S1	F6	90.746
Cl2	S1	F7	180.000	F3	S1	F4	89.990
F3	S1	F5	178.509	F3	S1	F6	89.990
F3	S1	F7	89.254	F4	S1	F5	89.990
F4	S1	F6	178.509	F4	S1	F7	89.254
F5	S1	F6	89.990	F5	S1	F7	89.254
F6	S1	F7	89.254

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

using model chemistry: mPW1PW91/6-31G**

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	1.500
2	Cl	-0.062
3	F	-0.289
4	F	-0.289
5	F	-0.289
6	F	-0.289
7	F	-0.281

	x	y	z	Total
	0.000	0.000	0.318	0.318
CHELPG
AIM
ESP

<r²>	213.145
(<r²>)^1/2	14.599

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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