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	hartrees
Energy at 0K	-70.775063
Energy at 298.15K
HF Energy	-70.775063
Nuclear repulsion energy	81.115841

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	2429	2354	0.00	612.57	0.28	0.44
2	Σ_g	1415	1372	0.00	50.21	0.34	0.51
3	Σ_g	553	536	0.00	9.67	0.20	0.34
4	Σ_u	2338	2266	370.78	0.00	0.00	0.00
5	Σ_u	1070	1037	334.73	0.00	0.00	0.00
6	Π_g	576	558	0.00	34.94	0.75	0.86
6	Π_g	576	558	0.00	34.94	0.75	0.86
7	Π_g	280	271	0.00	22.92	0.75	0.86
7	Π_g	280	271	0.00	22.92	0.75	0.86
8	Π_u	349	339	0.64	0.00	0.00	0.00
8	Π_u	349	339	0.64	0.00	0.00	0.00
9	Π_u	129	125	0.28	0.00	0.00	0.00
9	Π_u	129	125	0.28	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.691
C2	0.000	0.000	-0.691
C3	0.000	0.000	1.901
C4	0.000	0.000	-1.901
F5	0.000	0.000	3.195
F6	0.000	0.000	-3.195

	C1	C2	C3	C4	F5	F6
C1		1.3811	1.2107	2.5918	2.5044	3.8855
C2	1.3811		2.5918	1.2107	3.8855	2.5044
C3	1.2107	2.5918		3.8025	1.2937	5.0962
C4	2.5918	1.2107	3.8025		5.0962	1.2937
F5	2.5044	3.8855	1.2937	5.0962		6.3899
F6	3.8855	2.5044	5.0962	1.2937	6.3899

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: B3LYP/CEP-121G*

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	2.137
2	C	2.137
3	C	-2.039
4	C	-2.039
5	F	-0.098
6	F	-0.098

<r²>	194.468
(<r²>)^1/2	13.945

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)