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	hartrees
Energy at 0K	-1356.628289
Energy at 298.15K	-1356.631963
HF Energy	-1356.628289
Nuclear repulsion energy	621.579550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	824	813	361.54
2	A₁	660	651	2.09
3	A₁	534	527	86.79
4	A₁	348	343	8.69
5	B₁	437	431	0.00
6	B₂	611	603	0.00
7	B₂	291	287	0.00
8	E	905	893	301.18
8	E	905	893	301.18
9	E	500	494	13.07
9	E	500	494	13.07
10	E	382	376	1.31
10	E	382	376	1.31
11	E	229	225	0.11
11	E	229	225	0.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.267
Cl2	0.000	0.000	1.850
F3	0.000	1.623	-0.284
F4	1.623	0.000	-0.284
F5	0.000	-1.623	-0.284
F6	-1.623	0.000	-0.284
F7	0.000	0.000	-1.884

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1176	1.6236	1.6236	1.6236	1.6236	1.6170
Cl2	2.1176		2.6814	2.6814	2.6814	2.6814	3.7346
F3	1.6236	2.6814		2.2960	3.2470	2.2960	2.2798
F4	1.6236	2.6814	2.2960		2.2960	3.2470	2.2798
F5	1.6236	2.6814	3.2470	2.2960		2.2960	2.2798
F6	1.6236	2.6814	2.2960	3.2470	2.2960		2.2798
F7	1.6170	3.7346	2.2798	2.2798	2.2798	2.2798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.579	Cl2	S1	F4	90.579
Cl2	S1	F5	90.579	Cl2	S1	F6	90.579
Cl2	S1	F7	180.000	F3	S1	F4	89.994
F3	S1	F5	178.842	F3	S1	F6	89.994
F3	S1	F7	89.421	F4	S1	F5	89.994
F4	S1	F6	178.842	F4	S1	F7	89.421
F5	S1	F6	89.994	F5	S1	F7	89.421
F6	S1	F7	89.421

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

using model chemistry: PBEPBE/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	1.340
2	Cl	-0.064
3	F	-0.256
4	F	-0.256
5	F	-0.256
6	F	-0.256
7	F	-0.251

	x	y	z	Total
	0.000	0.000	0.125	0.125
CHELPG
AIM
ESP

<r²>	219.966
(<r²>)^1/2	14.831

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

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

States and conformations

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