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	hartrees
Energy at 0K	-351.637361
Energy at 298.15K
HF Energy	-351.637361
Nuclear repulsion energy	165.447173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	2403	2378	0.00	524.49	0.30	0.47
2	Σ_g	1429	1414	0.00	38.22	0.33	0.50
3	Σ_g	555	550	0.00	12.10	0.24	0.39
4	Σ_u	2306	2282	374.15	0.00	0.00	0.00
5	Σ_u	1062	1051	340.55	0.00	0.00	0.00
6	Π_g	336	333	0.00	4.39	0.75	0.86
6	Π_g	336	333	0.00	4.39	0.75	0.86
7	Π_g	266	263	0.00	38.88	0.75	0.86
7	Π_g	266	263	0.00	38.88	0.75	0.86
8	Π_u	313	309	0.53	0.00	0.00	0.00
8	Π_u	313	309	0.53	0.00	0.00	0.00
9	Π_u	107	106	0.77	0.00	0.00	0.00
9	Π_u	107	106	0.77	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.681
C2	0.000	0.000	-0.681
C3	0.000	0.000	1.895
C4	0.000	0.000	-1.895
F5	0.000	0.000	3.178
F6	0.000	0.000	-3.178

	C1	C2	C3	C4	F5	F6
C1		1.3615	1.2141	2.5757	2.4971	3.8586
C2	1.3615		2.5757	1.2141	3.8586	2.4971
C3	1.2141	2.5757		3.7898	1.2830	5.0728
C4	2.5757	1.2141	3.7898		5.0728	1.2830
F5	2.4971	3.8586	1.2830	5.0728		6.3557
F6	3.8586	2.4971	5.0728	1.2830	6.3557

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: PBEPBE/6-311G*

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	0.026
2	C	0.026
3	C	0.051
4	C	0.051
5	F	-0.077
6	F	-0.077

<r²>	249.026
(<r²>)^1/2	15.781

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)