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	hartrees
Energy at 0K	-750.382960
Energy at 298.15K
HF Energy	-748.280384
Nuclear repulsion energy	563.693152

Atom	x (Å)	y (Å)
C1	0.155	1.853
C2	0.468	0.559
C3	-0.468	-0.559
C4	-0.155	-1.853
F5	1.060	2.800
F6	-1.060	2.337
F7	1.765	0.231
F8	-1.765	-0.231
F9	1.060	-2.337
F10	-1.060	-2.800

	C1	C2	C3	C4	F5	F6	F7	F8	F9	F10
C1		1.3316	2.4911	3.7191	1.3098	1.3078	2.2855	2.8332	4.2864	4.8089
C2	1.3316		1.4581	2.4911	2.3177	2.3445	1.3374	2.3684	2.9553	3.6900
C3	2.4911	1.4581		1.3316	3.6900	2.9553	2.3684	1.3374	2.3445	2.3177
C4	3.7191	2.4911	1.3316		4.8089	4.2864	2.8332	2.2855	1.3078	1.3098
F5	1.3098	2.3177	3.6900	4.8089		2.1705	2.6639	4.1429	5.1363	5.9874
F6	1.3078	2.3445	2.9553	4.2864	2.1705		3.5235	2.6621	5.1317	5.1363
F7	2.2855	1.3374	2.3684	2.8332	2.6639	3.5235		3.5595	2.6621	4.1429
F8	2.8332	2.3684	1.3374	2.2855	4.1429	2.6621	3.5595		3.5235	2.6639
F9	4.2864	2.9553	2.3445	1.3078	5.1363	5.1317	2.6621	3.5235		2.1705
F10	4.8089	3.6900	2.3177	1.3098	5.9874	5.1363	4.1429	2.6639	2.1705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.437	C1	C2	F7	117.812
C2	C1	F5	122.671	C2	C1	F6	125.302
C2	C3	C4	126.437	C2	C3	F8	115.752
C3	C2	F7	115.752	C3	C4	F9	125.302
C3	C4	F10	122.671	C4	C3	F8	117.812
F5	C1	F6	112.027	F9	C4	F10	112.027

All results from a given calculation for C₄F₆ (perfluorobutadiene)

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₄F₆ (perfluorobutadiene)