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	hartrees
Energy at 0K	-1353.114205
Energy at 298.15K	-1353.118159
HF Energy	-1353.114205
Nuclear repulsion energy	627.474793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	875	865	402.18
2	A₁	691	684	1.64
3	A₁	561	555	95.16
4	A₁	387	382	4.07
5	B₁	445	441	0.00
6	B₂	646	639	0.00
7	B₂	307	303	0.00
8	E	955	944	332.19
8	E	955	944	332.19
9	E	519	513	17.45
9	E	519	513	17.45
10	E	396	391	1.16
10	E	396	391	1.16
11	E	242	240	0.06
11	E	242	240	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.258
Cl2	0.000	0.000	1.819
F3	0.000	1.613	-0.278
F4	1.613	0.000	-0.278
F5	0.000	-1.613	-0.278
F6	-1.613	0.000	-0.278
F7	0.000	0.000	-1.866

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0774	1.6134	1.6134	1.6134	1.6134	1.6072
Cl2	2.0774		2.6455	2.6455	2.6455	2.6455	3.6846
F3	1.6134	2.6455		2.2815	3.2265	2.2815	2.2637
F4	1.6134	2.6455	2.2815		2.2815	3.2265	2.2637
F5	1.6134	2.6455	3.2265	2.2815		2.2815	2.2637
F6	1.6134	2.6455	2.2815	3.2265	2.2815		2.2637
F7	1.6072	3.6846	2.2637	2.2637	2.2637	2.2637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.683	Cl2	S1	F4	90.683
Cl2	S1	F5	90.683	Cl2	S1	F6	90.683
Cl2	S1	F7	180.000	F3	S1	F4	89.992
F3	S1	F5	178.635	F3	S1	F6	89.992
F3	S1	F7	89.317	F4	S1	F5	89.992
F4	S1	F6	178.635	F4	S1	F7	89.317
F5	S1	F6	89.992	F5	S1	F7	89.317
F6	S1	F7	89.317

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

using model chemistry: LSDA/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	1.009
2	Cl	-0.056
3	F	-0.190
4	F	-0.190
5	F	-0.190
6	F	-0.190
7	F	-0.193

	x	y	z	Total
	0.000	0.000	0.494	0.494
CHELPG
AIM
ESP

<r²>	216.146
(<r²>)^1/2	14.702

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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