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	hartrees
Energy at 0K	-996.542429
Energy at 298.15K
HF Energy	-994.371319
Nuclear repulsion energy	566.291045

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
F2	0.000	0.000	1.563
F3	0.000	1.563	0.000
F4	1.563	0.000	0.000
F5	0.000	-1.563	0.000
F6	-1.563	0.000	0.000
F7	0.000	0.000	-1.563

	S1	F2	F3	F4	F5	F6	F7
S1		1.5632	1.5632	1.5632	1.5632	1.5632	1.5632
F2	1.5632		2.2107	2.2107	2.2107	2.2107	3.1264
F3	1.5632	2.2107		2.2107	3.1264	2.2107	2.2107
F4	1.5632	2.2107	2.2107		2.2107	3.1264	2.2107
F5	1.5632	2.2107	3.1264	2.2107		2.2107	2.2107
F6	1.5632	2.2107	2.2107	3.1264	2.2107		2.2107
F7	1.5632	3.1264	2.2107	2.2107	2.2107	2.2107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	90.000	F2	S1	F4	90.000
F2	S1	F5	90.000	F2	S1	F6	90.000
F2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	180.000	F3	S1	F6	90.000
F3	S1	F7	90.000	F4	S1	F5	90.000
F4	S1	F6	180.000	F4	S1	F7	90.000
F5	S1	F6	90.000	F5	S1	F7	90.000
F6	S1	F7	90.000

All results from a given calculation for SF₆ (Sulfur Hexafluoride)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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 SF6 (Sulfur Hexafluoride)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for SF₆ (Sulfur Hexafluoride)