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	hartrees
Energy at 0K	-349.862652
Energy at 298.15K
HF Energy	-349.862652
Nuclear repulsion energy	165.022134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2534	2436	0.00
2	Σ_g	1475	1418	0.00
3	Σ_g	573	551	0.00
4	Σ_u	2421	2327	211.33
5	Σ_u	1116	1073	200.75
6	Π_g	561	540	0.00
6	Π_g	561	540	0.00
7	Π_g	336	323	0.00
7	Π_g	336	323	0.00
8	Π_u	451	434	2.08
8	Π_u	451	434	2.08
9	Π_u	97	93	0.34
9	Π_u	97	93	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.678
C2	0.000	0.000	-0.678
C3	0.000	0.000	1.882
C4	0.000	0.000	-1.882
F5	0.000	0.000	3.187
F6	0.000	0.000	-3.187

	C1	C2	C3	C4	F5	F6
C1		1.3555	1.2039	2.5594	2.5088	3.8643
C2	1.3555		2.5594	1.2039	3.8643	2.5088
C3	1.2039	2.5594		3.7633	1.3049	5.0681
C4	2.5594	1.2039	3.7633		5.0681	1.3049
F5	2.5088	3.8643	1.3049	5.0681		6.3730
F6	3.8643	2.5088	5.0681	1.3049	6.3730

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: B3PW91/3-21G

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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Number	Element	Mulliken
1	C	0.333
2	C	0.333
3	C	-0.080
4	C	-0.080
5	F	-0.253
6	F	-0.253

<r²>	249.733
(<r²>)^1/2	15.803

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)