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	hartrees
Energy at 0K	-749.916079
Energy at 298.15K
HF Energy	-748.079159
Nuclear repulsion energy	556.024706

Atom	x (Å)	y (Å)
C1	0.154	1.876
C2	0.469	0.563
C3	-0.469	-0.563
C4	-0.154	-1.876
F5	1.079	2.833
F6	-1.079	2.371
F7	1.787	0.234
F8	-1.787	-0.234
F9	1.079	-2.371
F10	-1.079	-2.833

	C1	C2	C3	C4	F5	F6	F7	F8	F9	F10
C1		1.3511	2.5172	3.7654	1.3307	1.3284	2.3158	2.8674	4.3473	4.8683
C2	1.3511		1.4645	2.5172	2.3512	2.3805	1.3584	2.3923	2.9966	3.7317
C3	2.5172	1.4645		1.3511	3.7317	2.9966	2.3923	1.3584	2.3805	2.3512
C4	3.7654	2.5172	1.3511		4.8683	4.3473	2.8674	2.3158	1.3284	1.3307
F5	1.3307	2.3512	3.7317	4.8683		2.2066	2.6935	4.1979	5.2045	6.0633
F6	1.3284	2.3805	2.9966	4.3473	2.2066		3.5748	2.7002	5.2104	5.2045
F7	2.3158	1.3584	2.3923	2.8674	2.6935	3.5748		3.6044	2.7002	4.1979
F8	2.8674	2.3923	1.3584	2.3158	4.1979	2.7002	3.6044		3.5748	2.6935
F9	4.3473	2.9966	2.3805	1.3284	5.2045	5.2104	2.7002	3.5748		2.2066
F10	4.8683	3.7317	2.3512	1.3307	6.0633	5.2045	4.1979	2.6935	2.2066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.720	C1	C2	F7	117.455
C2	C1	F5	122.495	C2	C1	F6	125.348
C2	C3	C4	126.720	C2	C3	F8	115.826
C3	C2	F7	115.826	C3	C4	F9	125.348
C3	C4	F10	122.495	C4	C3	F8	117.455
F5	C1	F6	112.157	F9	C4	F10	112.157

All results from a given calculation for C₄F₆ (perfluorobutadiene)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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 C4F6 (perfluorobutadiene)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄F₆ (perfluorobutadiene)