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	hartrees
Energy at 0K	-1339.728977
Energy at 298.15K	-1339.731291
HF Energy	-1339.655211
Nuclear repulsion energy	583.008989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	863	863	192.02
2	A₁	620	620	0.17
3	A₁	444	444	78.80
4	A₁	319	319	0.40
5	B₁	326	326	0.00
6	B₂	616	616	0.00
7	B₂	221	221	0.00
8	E	941	941	122.14
8	E	941	941	122.14
9	E	377	377	22.57
9	E	377	377	22.57
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		2.2945	1.7216	1.7216	1.7216	1.7216	1.7162
Cl2	2.2945		2.8764	2.8764	2.8764	2.8764	4.0106
F3	1.7216	2.8764		2.4347	3.4432	2.4347	2.4239
F4	1.7216	2.8764	2.4347		2.4347	3.4432	2.4239
F5	1.7216	2.8764	3.4432	2.4347		2.4347	2.4239
F6	1.7216	2.8764	2.4347	3.4432	2.4347		2.4239
F7	1.7162	4.0106	2.4239	2.4239	2.4239	2.4239

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

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

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