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	hartrees
Energy at 0K	-351.473783
Energy at 298.15K
HF Energy	-350.280068
Nuclear repulsion energy	167.215479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2571	2571	0.00
2	Σ_g	1467	1467	0.00
3	Σ_g	569	569	0.00
4	Σ_u	2447	2447	383.87
5	Σ_u	1120	1120	321.57
6	Π_g	495	495	0.00
6	Π_g	495	495	0.00
7	Π_g	318	318	0.00
7	Π_g	318	318	0.00
8	Π_u	410	410	1.24
8	Π_u	410	410	1.24
9	Π_u	118	118	0.29
9	Π_u	118	118	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.687
C2	0.000	0.000	-0.687
C3	0.000	0.000	1.877
C4	0.000	0.000	-1.877
F5	0.000	0.000	3.146
F6	0.000	0.000	-3.146

	C1	C2	C3	C4	F5	F6
C1		1.3734	1.1902	2.5636	2.4589	3.8323
C2	1.3734		2.5636	1.1902	3.8323	2.4589
C3	1.1902	2.5636		3.7537	1.2687	5.0225
C4	2.5636	1.1902	3.7537		5.0225	1.2687
F5	2.4589	3.8323	1.2687	5.0225		6.2912
F6	3.8323	2.4589	5.0225	1.2687	6.2912

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=FULL/aug-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 C4F2 (difluorobutadiyne)

using model chemistry: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)