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	hartrees
Energy at 0K	-1356.953075
Energy at 298.15K	-1356.956974
HF Energy	-1356.500440
Nuclear repulsion energy	622.366527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	826	826	399.82
2	A₁	655	655	3.31
3	A₁	559	559	71.17
4	A₁	383	383	1.74
5	B₁	444	444	0.00
6	B₂	610	610	0.00
7	B₂	311	311	0.00
8	E	899	899	322.43
8	E	899	899	322.43
9	E	519	519	11.77
9	E	519	519	11.77
10	E	396	396	0.51
10	E	396	396	0.51
11	E	245	245	0.00
11	E	245	245	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.257
Cl2	0.000	0.000	1.835
F3	0.000	1.626	-0.283
F4	1.626	0.000	-0.283
F5	0.000	-1.626	-0.283
F6	-1.626	0.000	-0.283
F7	0.000	0.000	-1.879

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0927	1.6266	1.6266	1.6266	1.6266	1.6217
Cl2	2.0927		2.6703	2.6703	2.6703	2.6703	3.7144
F3	1.6266	2.6703		2.3000	3.2528	2.3000	2.2790
F4	1.6266	2.6703	2.3000		2.3000	3.2528	2.2790
F5	1.6266	2.6703	3.2528	2.3000		2.3000	2.2790
F6	1.6266	2.6703	2.3000	3.2528	2.3000		2.2790
F7	1.6217	3.7144	2.2790	2.2790	2.2790	2.2790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.886	Cl2	S1	F4	90.886
Cl2	S1	F5	90.886	Cl2	S1	F6	90.886
Cl2	S1	F7	180.000	F3	S1	F4	89.986
F3	S1	F5	178.228	F3	S1	F6	89.986
F3	S1	F7	89.114	F4	S1	F5	89.986
F4	S1	F6	178.228	F4	S1	F7	89.114
F5	S1	F6	89.986	F5	S1	F7	89.114
F6	S1	F7	89.114

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

using model chemistry: B2PLYP/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	2.468
2	Cl	-0.143
3	F	-0.454
4	F	-0.454
5	F	-0.454
6	F	-0.454
7	F	-0.510

	x	y	z	Total
	0.000	0.000	0.858	0.858
CHELPG
AIM
ESP

<r²>	220.069
(<r²>)^1/2	14.835

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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