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	hartrees
Energy at 0K	-1355.781832
Energy at 298.15K
HF Energy	-1354.235620
Nuclear repulsion energy	629.386628

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.832
F3	0.000	1.602	-0.285
F4	1.602	0.000	-0.285
F5	0.000	-1.602	-0.285
F6	-1.602	0.000	-0.285
F7	0.000	0.000	-1.858

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0908	1.6027	1.6027	1.6027	1.6027	1.5986
Cl2	2.0908		2.6551	2.6551	2.6551	2.6551	3.6893
F3	1.6027	2.6551		2.2663	3.2050	2.2663	2.2450
F4	1.6027	2.6551	2.2663		2.2663	3.2050	2.2450
F5	1.6027	2.6551	3.2050	2.2663		2.2663	2.2450
F6	1.6027	2.6551	2.2663	3.2050	2.2663		2.2450
F7	1.5986	3.6893	2.2450	2.2450	2.2450	2.2450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.938	Cl2	S1	F4	90.938
Cl2	S1	F5	90.938	Cl2	S1	F6	90.938
Cl2	S1	F7	180.000	F3	S1	F4	89.985
F3	S1	F5	178.124	F3	S1	F6	89.985
F3	S1	F7	89.062	F4	S1	F5	89.985
F4	S1	F6	178.124	F4	S1	F7	89.062
F5	S1	F6	89.985	F5	S1	F7	89.062
F6	S1	F7	89.062

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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