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	hartrees
Energy at 0K	-351.098175
Energy at 298.15K
HF Energy	-350.178314
Nuclear repulsion energy	164.445952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2519	2519	0.00
2	Σ_g	1422	1422	0.00
3	Σ_g	555	555	0.00
4	Σ_u	2395	2395	336.34
5	Σ_u	1074	1074	306.10
6	Π_g	341	341	0.00
6	Π_g	341	341	0.00
7	Π_g	130i	130i	0.00
7	Π_g	130i	130i	0.00
8	Π_u	405	405	1.38
8	Π_u	405	405	1.38
9	Π_u	92	92	0.27
9	Π_u	92	92	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.697
C2	0.000	0.000	-0.697
C3	0.000	0.000	1.909
C4	0.000	0.000	-1.909
F5	0.000	0.000	3.198
F6	0.000	0.000	-3.198

	C1	C2	C3	C4	F5	F6
C1		1.3942	1.2121	2.6062	2.5013	3.8955
C2	1.3942		2.6062	1.2121	3.8955	2.5013
C3	1.2121	2.6062		3.8183	1.2893	5.1075
C4	2.6062	1.2121	3.8183		5.1075	1.2893
F5	2.5013	3.8955	1.2893	5.1075		6.3968
F6	3.8955	2.5013	5.1075	1.2893	6.3968

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-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 C4F2 (difluorobutadiyne)

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

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)