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State	Conformation	minimum conformation	conformer description	state description
1	1	no	D4H	¹A_1G
1	2	yes	C2H	¹A_G

	hartrees
Energy at 0K	-549.147272
Energy at 298.15K
HF Energy	-549.147272
Nuclear repulsion energy	359.069396

Atom	x (Å)	y (Å)
C1	0.000	1.003
C2	1.003	0.000
C3	0.000	-1.003
C4	-1.003	0.000
F5	0.000	2.292
F6	2.292	0.000
F7	0.000	-2.292
F8	-2.292	0.000

	C1	C2	C3	C4	F5	F6	F7	F8
C1		1.4181	2.0055	1.4181	1.2892	2.5017	3.2947	2.5017
C2	1.4181		1.4181	2.0055	2.5017	1.2892	2.5017	3.2947
C3	2.0055	1.4181		1.4181	3.2947	2.5017	1.2892	2.5017
C4	1.4181	2.0055	1.4181		2.5017	3.2947	2.5017	1.2892
F5	1.2892	2.5017	3.2947	2.5017		3.2413	4.5838	3.2413
F6	2.5017	1.2892	2.5017	3.2947	3.2413		3.2413	4.5838
F7	3.2947	2.5017	1.2892	2.5017	4.5838	3.2413		3.2413
F8	2.5017	3.2947	2.5017	1.2892	3.2413	4.5838	3.2413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	90.000	C1	C2	F6	135.000
C1	C4	C3	90.000	C1	C4	F8	135.000
C2	C1	C4	90.000	C2	C1	F5	135.000
C2	C3	C4	90.000	C2	C3	F7	135.000
C3	C2	F6	135.000	C3	C4	F8	135.000
C4	C1	F5	135.000	C4	C3	F7	135.000

All results from a given calculation for C₄F₄ (tetrafluorcyclobutadiene)

using model chemistry: HF/cc-pVTZ

States and conformations

Conformer 1 (D4H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.099
2	C	0.399
3	C	-0.099
4	C	0.399
5	F	-0.190
6	F	-0.110
7	F	-0.190
8	F	-0.110

All results from a given calculation for C4F4 (tetrafluorcyclobutadiene)

using model chemistry: HF/cc-pVTZ

States and conformations

Conformer 1 (D4H)

All results from a given calculation for C₄F₄ (tetrafluorcyclobutadiene)