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	hartrees
Energy at 0K	-1336.070617
Energy at 298.15K	-1336.072826
HF Energy	-1336.070617
Nuclear repulsion energy	581.286798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	842	754	171.95
2	A₁	633	567	0.25
3	A₁	426	382	55.11
4	A₁	307	275	0.00
5	B₁	323	289	0.00
6	B₂	604	540	0.00
7	B₂	217	194	0.00
8	E	948	849	123.88
8	E	948	849	123.88
9	E	369	331	14.97
9	E	369	331	14.97
10	E	280	251	0.93
10	E	280	251	0.93
11	E	169	151	1.80
11	E	169	151	1.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.301
Cl2	0.000	0.000	2.007
F3	0.000	1.723	-0.307
F4	1.723	0.000	-0.307
F5	0.000	-1.723	-0.307
F6	-1.723	0.000	-0.307
F7	0.000	0.000	-2.029

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3085	1.7230	1.7230	1.7230	1.7230	1.7279
Cl2	2.3085		2.8849	2.8849	2.8849	2.8849	4.0364
F3	1.7230	2.8849		2.4367	3.4460	2.4367	2.4364
F4	1.7230	2.8849	2.4367		2.4367	3.4460	2.4364
F5	1.7230	2.8849	3.4460	2.4367		2.4367	2.4364
F6	1.7230	2.8849	2.4367	3.4460	2.4367		2.4364
F7	1.7279	4.0364	2.4364	2.4364	2.4364	2.4364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.176	Cl2	S1	F4	90.176
Cl2	S1	F5	90.176	Cl2	S1	F6	90.176
Cl2	S1	F7	180.000	F3	S1	F4	89.999
F3	S1	F5	179.647	F3	S1	F6	89.999
F3	S1	F7	89.824	F4	S1	F5	89.999
F4	S1	F6	179.647	F4	S1	F7	89.824
F5	S1	F6	89.999	F5	S1	F7	89.824
F6	S1	F7	89.824

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

using model chemistry: LSDA/STO-3G

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	0.903
2	Cl	-0.349
3	F	-0.106
4	F	-0.106
5	F	-0.106
6	F	-0.106
7	F	-0.128

	x	y	z	Total
	0.000	0.000	-3.072	3.072
CHELPG
AIM
ESP

<r²>	245.836
(<r²>)^1/2	15.679

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

using model chemistry: LSDA/STO-3G

States and conformations

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