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	hartrees
Energy at 0K	-351.846466
Energy at 298.15K
HF Energy	-351.846466
Nuclear repulsion energy	164.270539

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	2386	2367	0.00	462.35	0.32	0.49
2	Σ_g	1416	1405	0.00	38.93	0.32	0.48
3	Σ_g	554	549	0.00	12.35	0.25	0.40
4	Σ_u	2298	2279	307.71	0.00	0.00	0.00
5	Σ_u	1057	1048	293.33	0.00	0.00	0.00
6	Π_g	472	468	0.00	17.21	0.75	0.86
6	Π_g	472	468	0.00	17.21	0.75	0.86
7	Π_g	225	223	0.00	26.75	0.75	0.86
7	Π_g	225	223	0.00	26.75	0.75	0.86
8	Π_u	255	253	0.04	0.00	0.00	0.00
8	Π_u	255	253	0.04	0.00	0.00	0.00
9	Π_u	118	117	0.32	0.00	0.00	0.00
9	Π_u	118	117	0.32	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.684
C2	0.000	0.000	-0.684
C3	0.000	0.000	1.904
C4	0.000	0.000	-1.904
F5	0.000	0.000	3.201
F6	0.000	0.000	-3.201

	C1	C2	C3	C4	F5	F6
C1		1.3674	1.2201	2.5875	2.5169	3.8843
C2	1.3674		2.5875	1.2201	3.8843	2.5169
C3	1.2201	2.5875		3.8076	1.2968	5.1044
C4	2.5875	1.2201	3.8076		5.1044	1.2968
F5	2.5169	3.8843	1.2968	5.1044		6.4012
F6	3.8843	2.5169	5.1044	1.2968	6.4012

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: BLYP/6-31G*

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	0.746
2	C	0.746
3	C	-0.609
4	C	-0.609
5	F	-0.137
6	F	-0.137

<r²>	251.638
(<r²>)^1/2	15.863

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)