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	hartrees
Energy at 0K	-749.893755
Energy at 298.15K
HF Energy	-748.078119
Nuclear repulsion energy	555.315351

Atom	x (Å)	y (Å)
C1	0.154	1.879
C2	0.469	0.564
C3	-0.469	-0.564
C4	-0.154	-1.879
F5	1.081	2.837
F6	-1.081	2.374
F7	1.789	0.235
F8	-1.789	-0.235
F9	1.081	-2.374
F10	-1.081	-2.837

	C1	C2	C3	C4	F5	F6	F7	F8	F9	F10
C1		1.3524	2.5205	3.7702	1.3328	1.3303	2.3184	2.8709	4.3527	4.8745
C2	1.3524		1.4661	2.5205	2.3541	2.3831	1.3603	2.3947	3.0007	3.7367
C3	2.5205	1.4661		1.3524	3.7367	3.0007	2.3947	1.3603	2.3831	2.3541
C4	3.7702	2.5205	1.3524		4.8745	4.3527	2.8709	2.3184	1.3303	1.3328
F5	1.3328	2.3541	3.7367	4.8745		2.2102	2.6965	4.2034	5.2109	6.0712
F6	1.3303	2.3831	3.0007	4.3527	2.2102		3.5791	2.7035	5.2171	5.2109
F7	2.3184	1.3603	2.3947	2.8709	2.6965	3.5791		3.6084	2.7035	4.2034
F8	2.8709	2.3947	1.3603	2.3184	4.2034	2.7035	3.6084		3.5791	2.6965
F9	4.3527	3.0007	2.3831	1.3303	5.2109	5.2171	2.7035	3.5791		2.2102
F10	4.8745	3.7367	2.3541	1.3328	6.0712	5.2109	4.2034	2.6965	2.2102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.779	C1	C2	F7	117.441
C2	C1	F5	122.493	C2	C1	F6	125.325
C2	C3	C4	126.779	C2	C3	F8	115.780
C3	C2	F7	115.780	C3	C4	F9	125.325
C3	C4	F10	122.493	C4	C3	F8	117.441
F5	C1	F6	112.182	F9	C4	F10	112.182

All results from a given calculation for C₄F₆ (perfluorobutadiene)

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄F₆ (perfluorobutadiene)