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	hartrees
Energy at 0K	-825.510868
Energy at 298.15K
HF Energy	-823.749571
Nuclear repulsion energy	732.228377

Atom	x (Å)	y (Å)
C1	0.000	1.385
C2	1.200	0.693
C3	1.200	-0.693
C4	0.000	-1.385
C5	-1.200	-0.693
C6	-1.200	0.693
F7	0.000	2.730
F8	2.364	1.365
F9	2.364	-1.365
F10	0.000	-2.730
F11	-2.364	-1.365
F12	-2.364	1.365

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3854	2.3995	2.7708	2.3995	1.3854	1.3446	2.3643	3.6269	4.1154	3.6269	2.3643
C2	1.3854		1.3854	2.3995	2.7708	2.3995	2.3643	1.3446	2.3643	3.6269	4.1154	3.6269
C3	2.3995	1.3854		1.3854	2.3995	2.7708	3.6269	2.3643	1.3446	2.3643	3.6269	4.1154
C4	2.7708	2.3995	1.3854		1.3854	2.3995	4.1154	3.6269	2.3643	1.3446	2.3643	3.6269
C5	2.3995	2.7708	2.3995	1.3854		1.3854	3.6269	4.1154	3.6269	2.3643	1.3446	2.3643
C6	1.3854	2.3995	2.7708	2.3995	1.3854		2.3643	3.6269	4.1154	3.6269	2.3643	1.3446
F7	1.3446	2.3643	3.6269	4.1154	3.6269	2.3643		2.7300	4.7285	5.4600	4.7285	2.7300
F8	2.3643	1.3446	2.3643	3.6269	4.1154	3.6269	2.7300		2.7300	4.7285	5.4600	4.7285
F9	3.6269	2.3643	1.3446	2.3643	3.6269	4.1154	4.7285	2.7300		2.7300	4.7285	5.4600
F10	4.1154	3.6269	2.3643	1.3446	2.3643	3.6269	5.4600	4.7285	2.7300		2.7300	4.7285
F11	3.6269	4.1154	3.6269	2.3643	1.3446	2.3643	4.7285	5.4600	4.7285	2.7300		2.7300
F12	2.3643	3.6269	4.1154	3.6269	2.3643	1.3446	2.7300	4.7285	5.4600	4.7285	2.7300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.000	C1	C2	F8	120.000
C1	C6	C5	120.000	C1	C6	F12	120.000
C2	C1	C6	120.000	C2	C1	F7	120.000
C2	C3	C4	120.000	C2	C3	F9	120.000
C3	C2	F8	120.000	C3	C4	C5	120.000
C3	C4	F10	120.000	C4	C3	F9	120.000
C4	C5	C6	120.000	C4	C5	F11	120.000
C5	C4	F10	120.000	C5	C6	F12	120.000
C6	C1	F7	120.000	C6	C5	F11	120.000

All results from a given calculation for C₆F₆ (hexafluorobenzene)

using model chemistry: MP3/6-31+G**

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 C6F6 (hexafluorobenzene)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)