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	hartrees
Energy at 0K	-1354.116371
Energy at 298.15K	-1354.121029
HF Energy	-1354.116371
Nuclear repulsion energy	641.036989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	962	876	483.53
2	A₁	773	703	6.43
3	A₁	647	589	109.86
4	A₁	448	408	0.75
5	B₁	517	471	0.00
6	B₂	713	649	0.00
7	B₂	367	334	0.00
8	E	1050	956	374.77
8	E	1050	956	374.77
9	E	602	549	21.51
9	E	602	549	21.51
10	E	460	419	0.86
10	E	460	419	0.86
11	E	285	260	0.01
11	E	285	260	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.254
Cl2	0.000	0.000	1.796
F3	0.000	1.574	-0.279
F4	1.574	0.000	-0.279
F5	0.000	-1.574	-0.279
F6	-1.574	0.000	-0.279
F7	0.000	0.000	-1.826

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0502	1.5738	1.5738	1.5738	1.5738	1.5720
Cl2	2.0502		2.6043	2.6043	2.6043	2.6043	3.6222
F3	1.5738	2.6043		2.2254	3.1473	2.2254	2.2067
F4	1.5738	2.6043	2.2254		2.2254	3.1473	2.2067
F5	1.5738	2.6043	3.1473	2.2254		2.2254	2.2067
F6	1.5738	2.6043	2.2254	3.1473	2.2254		2.2067
F7	1.5720	3.6222	2.2067	2.2067	2.2067	2.2067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.909	Cl2	S1	F4	90.909
Cl2	S1	F5	90.909	Cl2	S1	F6	90.909
Cl2	S1	F7	180.000	F3	S1	F4	89.986
F3	S1	F5	178.182	F3	S1	F6	89.986
F3	S1	F7	89.091	F4	S1	F5	89.986
F4	S1	F6	178.182	F4	S1	F7	89.091
F5	S1	F6	89.986	F5	S1	F7	89.091
F6	S1	F7	89.091

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

using model chemistry: HF/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	3.247
2	Cl	-0.248
3	F	-0.584
4	F	-0.584
5	F	-0.584
6	F	-0.584
7	F	-0.662

	x	y	z	Total
	0.000	0.000	0.765	0.765
CHELPG
AIM
ESP

<r²>	209.425
(<r²>)^1/2	14.472

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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