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	hartrees
Energy at 0K	-1340.403925
Energy at 298.15K	-1340.406228
HF Energy	-1340.403925
Nuclear repulsion energy	580.887337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	851	753	186.22
2	A₁	626	554	0.37
3	A₁	438	387	68.05
4	A₁	316	280	0.02
5	B₁	329	291	0.00
6	B₂	606	537	0.00
7	B₂	222	196	0.00
8	E	940	832	127.99
8	E	940	832	127.99
9	E	378	334	19.10
9	E	378	334	19.10
10	E	290	256	1.53
10	E	290	256	1.53
11	E	177	157	1.52
11	E	177	157	1.52

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.298
Cl2	0.000	0.000	2.005
F3	0.000	1.727	-0.308
F4	1.727	0.000	-0.308
F5	0.000	-1.727	-0.308
F6	-1.727	0.000	-0.308
F7	0.000	0.000	-2.024

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3025	1.7271	1.7271	1.7271	1.7271	1.7258
Cl2	2.3025		2.8865	2.8865	2.8865	2.8865	4.0283
F3	1.7271	2.8865		2.4425	3.4542	2.4425	2.4343
F4	1.7271	2.8865	2.4425		2.4425	3.4542	2.4343
F5	1.7271	2.8865	3.4542	2.4425		2.4425	2.4343
F6	1.7271	2.8865	2.4425	3.4542	2.4425		2.4343
F7	1.7258	4.0283	2.4343	2.4343	2.4343	2.4343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.342	Cl2	S1	F4	90.342
Cl2	S1	F5	90.342	Cl2	S1	F6	90.342
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.315	F3	S1	F6	89.998
F3	S1	F7	89.658	F4	S1	F5	89.998
F4	S1	F6	179.315	F4	S1	F7	89.658
F5	S1	F6	89.998	F5	S1	F7	89.658
F6	S1	F7	89.658

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

using model chemistry: B3PW91/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	1.000
2	Cl	-0.345
3	F	-0.128
4	F	-0.128
5	F	-0.128
6	F	-0.128
7	F	-0.144

	x	y	z	Total
	0.000	0.000	-2.915	2.915
CHELPG
AIM
ESP

<r²>	246.227
(<r²>)^1/2	15.692

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

using model chemistry: B3PW91/STO-3G

States and conformations

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