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	hartrees
Energy at 0K	-1339.728509
Energy at 298.15K	-1339.730822
HF Energy	-1339.655194
Nuclear repulsion energy	582.972094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	863	863	191.93
2	A₁	620	620	0.17
3	A₁	444	444	78.73
4	A₁	318	318	0.40
5	B₁	326	326	0.00
6	B₂	616	616	0.00
7	B₂	220	220	0.00
8	E	941	941	122.08
8	E	941	941	122.08
9	E	377	377	22.55
9	E	377	377	22.55
10	E	289	289	1.80
10	E	289	289	1.80
11	E	178	178	1.56
11	E	178	178	1.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.298
Cl2	0.000	0.000	1.997
F3	0.000	1.722	-0.307
F4	1.722	0.000	-0.307
F5	0.000	-1.722	-0.307
F6	-1.722	0.000	-0.307
F7	0.000	0.000	-2.014

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.2946	1.7217	1.7217	1.7217	1.7217	1.7163
Cl2	2.2946		2.8766	2.8766	2.8766	2.8766	4.0109
F3	1.7217	2.8766		2.4349	3.4434	2.4349	2.4241
F4	1.7217	2.8766	2.4349		2.4349	3.4434	2.4241
F5	1.7217	2.8766	3.4434	2.4349		2.4349	2.4241
F6	1.7217	2.8766	2.4349	3.4434	2.4349		2.4241
F7	1.7163	4.0109	2.4241	2.4241	2.4241	2.4241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.328	Cl2	S1	F4	90.328
Cl2	S1	F5	90.328	Cl2	S1	F6	90.328
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.345	F3	S1	F6	89.998
F3	S1	F7	89.672	F4	S1	F5	89.998
F4	S1	F6	179.345	F4	S1	F7	89.672
F5	S1	F6	89.998	F5	S1	F7	89.672
F6	S1	F7	89.672

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

using model chemistry: B2PLYP/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	1.069
2	Cl	-0.358
3	F	-0.139
4	F	-0.139
5	F	-0.139
6	F	-0.139
7	F	-0.155

	x	y	z	Total
	0.000	0.000	-2.978	2.978
CHELPG
AIM
ESP

<r²>	244.850
(<r²>)^1/2	15.648

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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