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	hartrees
Energy at 0K	-351.346926
Energy at 298.15K
HF Energy	-350.270343
Nuclear repulsion energy	166.754600

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.691
C2	0.000	0.000	-0.691
C3	0.000	0.000	1.884
C4	0.000	0.000	-1.884
F5	0.000	0.000	3.154
F6	0.000	0.000	-3.154

	C1	C2	C3	C4	F5	F6
C1		1.3812	1.1936	2.5748	2.4638	3.8451
C2	1.3812		2.5748	1.1936	3.8451	2.4638
C3	1.1936	2.5748		3.7684	1.2703	5.0386
C4	2.5748	1.1936	3.7684		5.0386	1.2703
F5	2.4638	3.8451	1.2703	5.0386		6.3089
F6	3.8451	2.4638	5.0386	1.2703	6.3089

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	C4	180.000		C1	C3	F5	180.000
C2	C1	C3	180.000		C2	C4	F6	180.000

All results from a given calculation for C₄F₂ (difluorobutadiyne)

using model chemistry: MP3/6-311+G(3df,2p)

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 C4F2 (difluorobutadiyne)

using model chemistry: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)