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	hartrees
Energy at 0K	-1357.477830
Energy at 298.15K	-1357.481850
HF Energy	-1357.477830
Nuclear repulsion energy	627.020244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	851	815	407.37
2	A₁	679	651	3.91
3	A₁	571	548	76.30
4	A₁	395	379	1.59
5	B₁	453	434	0.00
6	B₂	629	603	0.00
7	B₂	317	304	0.00
8	E	928	889	326.23
8	E	928	889	326.23
9	E	530	508	13.07
9	E	530	508	13.07
10	E	403	386	0.52
10	E	403	386	0.52
11	E	249	239	0.00
11	E	249	239	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.255
Cl2	0.000	0.000	1.821
F3	0.000	1.614	-0.280
F4	1.614	0.000	-0.280
F5	0.000	-1.614	-0.280
F6	-1.614	0.000	-0.280
F7	0.000	0.000	-1.866

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0759	1.6146	1.6146	1.6146	1.6146	1.6112
Cl2	2.0759		2.6490	2.6490	2.6490	2.6490	3.6871
F3	1.6146	2.6490		2.2831	3.2288	2.2831	2.2637
F4	1.6146	2.6490	2.2831		2.2831	3.2288	2.2637
F5	1.6146	2.6490	3.2288	2.2831		2.2831	2.2637
F6	1.6146	2.6490	2.2831	3.2288	2.2831		2.2637
F7	1.6112	3.6871	2.2637	2.2637	2.2637	2.2637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.864	Cl2	S1	F4	90.864
Cl2	S1	F5	90.864	Cl2	S1	F6	90.864
Cl2	S1	F7	180.000	F3	S1	F4	89.987
F3	S1	F5	178.271	F3	S1	F6	89.987
F3	S1	F7	89.136	F4	S1	F5	89.987
F4	S1	F6	178.271	F4	S1	F7	89.136
F5	S1	F6	89.987	F5	S1	F7	89.136
F6	S1	F7	89.136

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	2.342
2	Cl	-0.154
3	F	-0.425
4	F	-0.425
5	F	-0.425
6	F	-0.425
7	F	-0.489

	x	y	z	Total
	0.000	0.000	0.776	0.776
CHELPG
AIM
ESP

<r²>	216.817
(<r²>)^1/2	14.725

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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