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	hartrees
Energy at 0K	-1356.841447
Energy at 298.15K	-1356.845483
HF Energy	-1356.432508
Nuclear repulsion energy	623.918383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	869	832	424.40
2	A₁	682	653	2.27
3	A₁	574	550	91.41
4	A₁	387	371	3.55
5	B₁	457	438	0.00
6	B₂	639	612	0.00
7	B₂	318	305	0.00
8	E	941	901	345.46
8	E	941	901	345.46
9	E	533	510	18.62
9	E	533	510	18.62
10	E	407	390	1.28
10	E	407	390	1.28
11	E	251	240	0.04
11	E	251	240	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.831
F3	0.000	1.622	-0.281
F4	1.622	0.000	-0.281
F5	0.000	-1.622	-0.281
F6	-1.622	0.000	-0.281
F7	0.000	0.000	-1.874

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0909	1.6223	1.6223	1.6223	1.6223	1.6149
Cl2	2.0909		2.6634	2.6634	2.6634	2.6634	3.7059
F3	1.6223	2.6634		2.2941	3.2443	2.2941	2.2738
F4	1.6223	2.6634	2.2941		2.2941	3.2443	2.2738
F5	1.6223	2.6634	3.2443	2.2941		2.2941	2.2738
F6	1.6223	2.6634	2.2941	3.2443	2.2941		2.2738
F7	1.6149	3.7059	2.2738	2.2738	2.2738	2.2738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.760	Cl2	S1	F4	90.760
Cl2	S1	F5	90.760	Cl2	S1	F6	90.760
Cl2	S1	F7	180.000	F3	S1	F4	89.990
F3	S1	F5	178.481	F3	S1	F6	89.990
F3	S1	F7	89.240	F4	S1	F5	89.990
F4	S1	F6	178.481	F4	S1	F7	89.240
F5	S1	F6	89.990	F5	S1	F7	89.240
F6	S1	F7	89.240

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

using model chemistry: B2PLYP/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	1.359
2	Cl	-0.074
3	F	-0.256
4	F	-0.256
5	F	-0.256
6	F	-0.256
7	F	-0.259

	x	y	z	Total
	0.000	0.000	0.696	0.696
CHELPG
AIM
ESP

<r²>	218.736
(<r²>)^1/2	14.790

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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