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	hartrees
Energy at 0K	-351.897063
Energy at 298.15K
HF Energy	-351.897063
Nuclear repulsion energy	166.814313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2481	2386	0.00
2	Σ_g	1458	1402	0.00
3	Σ_g	568	546	0.00
4	Σ_u	2383	2292	412.09
5	Σ_u	1105	1062	344.83
6	Π_g	446	429	0.00
6	Π_g	446	429	0.00
7	Π_g	315	303	0.00
7	Π_g	315	303	0.00
8	Π_u	379	365	1.21
8	Π_u	379	365	1.21
9	Π_u	112	107	0.70
9	Π_u	112	107	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
C3	0.000	0.000	1.881
C4	0.000	0.000	-1.881
F5	0.000	0.000	3.152
F6	0.000	0.000	-3.152

	C1	C2	C3	C4	F5	F6
C1		1.3643	1.1989	2.5632	2.4703	3.8346
C2	1.3643		2.5632	1.1989	3.8346	2.4703
C3	1.1989	2.5632		3.7621	1.2714	5.0335
C4	2.5632	1.1989	3.7621		5.0335	1.2714
F5	2.4703	3.8346	1.2714	5.0335		6.3049
F6	3.8346	2.4703	5.0335	1.2714	6.3049

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/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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Number	Element	Mulliken
1	C	-0.034
2	C	-0.034
3	C	0.109
4	C	0.109
5	F	-0.075
6	F	-0.075

<r²>	245.603
(<r²>)^1/2	15.672

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)