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	hartrees
Energy at 0K	-1357.766824
Energy at 298.15K	-1357.770859
HF Energy	-1357.766824
Nuclear repulsion energy	630.219866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	827	799	435.76
2	A₁	675	652	14.75
3	A₁	575	556	76.87
4	A₁	372	360	6.07
5	B₁	477	461	0.00
6	B₂	606	585	0.00
7	B₂	319	309	0.00
8	E	884	855	349.02
8	E	884	855	349.02
9	E	550	532	12.65
9	E	550	532	12.65
10	E	416	403	0.81
10	E	416	403	0.81
11	E	252	244	0.01
11	E	252	244	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.266
Cl2	0.000	0.000	1.833
F3	0.000	1.599	-0.283
F4	1.599	0.000	-0.283
F5	0.000	-1.599	-0.283
F6	-1.599	0.000	-0.283
F7	0.000	0.000	-1.856

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0986	1.5991	1.5991	1.5991	1.5991	1.5907
Cl2	2.0986		2.6523	2.6523	2.6523	2.6523	3.6893
F3	1.5991	2.6523		2.2613	3.1979	2.2613	2.2431
F4	1.5991	2.6523	2.2613		2.2613	3.1979	2.2431
F5	1.5991	2.6523	3.1979	2.2613		2.2613	2.2431
F6	1.5991	2.6523	2.2613	3.1979	2.2613		2.2431
F7	1.5907	3.6893	2.2431	2.2431	2.2431	2.2431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.628	Cl2	S1	F4	90.628
Cl2	S1	F5	90.628	Cl2	S1	F6	90.628
Cl2	S1	F7	180.000	F3	S1	F4	89.993
F3	S1	F5	178.745	F3	S1	F6	89.993
F3	S1	F7	89.372	F4	S1	F5	89.993
F4	S1	F6	178.745	F4	S1	F7	89.372
F5	S1	F6	89.993	F5	S1	F7	89.372
F6	S1	F7	89.372

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

using model chemistry: B3LYP/cc-pVTZ

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	1.122
2	Cl	-0.101
3	F	-0.206
4	F	-0.206
5	F	-0.206
6	F	-0.206
7	F	-0.198

	x	y	z	Total
	0.000	0.000	0.505	0.505
CHELPG
AIM
ESP

<r²>	215.474
(<r²>)^1/2	14.679

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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