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	hartrees
Energy at 0K	-351.996807
Energy at 298.15K
HF Energy	-351.996807
Nuclear repulsion energy	165.193995

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	2368	2361	0.00	590.06	0.27	0.42
2	Σ_g	1396	1391	0.00	43.24	0.35	0.52
3	Σ_g	548	547	0.00	11.33	0.24	0.38
4	Σ_u	2284	2277	350.30	0.00	0.00	0.00
5	Σ_u	1044	1041	328.65	0.00	0.00	0.00
6	Π_g	392	390	0.00	13.86	0.75	0.86
6	Π_g	392	390	0.00	13.86	0.75	0.86
7	Π_g	266	266	0.00	22.59	0.75	0.86
7	Π_g	266	266	0.00	22.59	0.75	0.86
8	Π_u	303	302	0.21	0.00	0.00	0.00
8	Π_u	303	302	0.21	0.00	0.00	0.00
9	Π_u	108	108	0.64	0.00	0.00	0.00
9	Π_u	108	108	0.64	0.00	0.00	0.00

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	1.893
C4	0.000	0.000	-1.893
F5	0.000	0.000	3.183
F6	0.000	0.000	-3.183

	C1	C2	C3	C4	F5	F6
C1		1.3641	1.2109	2.5750	2.5009	3.8650
C2	1.3641		2.5750	1.2109	3.8650	2.5009
C3	1.2109	2.5750		3.7859	1.2900	5.0759
C4	2.5750	1.2109	3.7859		5.0759	1.2900
F5	2.5009	3.8650	1.2900	5.0759		6.3659
F6	3.8650	2.5009	5.0759	1.2900	6.3659

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/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	0.025
2	C	0.025
3	C	0.048
4	C	0.048
5	F	-0.074
6	F	-0.074

<r²>	249.880
(<r²>)^1/2	15.808

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)