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	hartrees
Energy at 0K	-351.672662
Energy at 298.15K
HF Energy	-351.672662
Nuclear repulsion energy	165.580115

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	2391	2374	0.00	575.67	0.27	0.42
2	Σ_g	1426	1417	0.00	44.02	0.36	0.52
3	Σ_g	556	552	0.00	11.81	0.23	0.38
4	Σ_u	2301	2285	375.71	0.00	0.00	0.00
5	Σ_u	1068	1061	330.37	0.00	0.00	0.00
6	Π_g	394	391	0.00	13.57	0.75	0.86
6	Π_g	394	391	0.00	13.57	0.75	0.86
7	Π_g	278	276	0.00	20.83	0.75	0.86
7	Π_g	278	276	0.00	20.83	0.75	0.86
8	Π_u	315	313	0.30	0.00	0.00	0.00
8	Π_u	315	313	0.30	0.00	0.00	0.00
9	Π_u	108	107	0.87	0.00	0.00	0.00
9	Π_u	108	107	0.87	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	1.893
C4	0.000	0.000	-1.893
F5	0.000	0.000	3.175
F6	0.000	0.000	-3.175

	C1	C2	C3	C4	F5	F6
C1		1.3618	1.2125	2.5743	2.4945	3.8563
C2	1.3618		2.5743	1.2125	3.8563	2.4945
C3	1.2125	2.5743		3.7867	1.2820	5.0687
C4	2.5743	1.2125	3.7867		5.0687	1.2820
F5	2.4945	3.8563	1.2820	5.0687		6.3507
F6	3.8563	2.4945	5.0687	1.2820	6.3507

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/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	0.028
2	C	0.028
3	C	0.023
4	C	0.023
5	F	-0.051
6	F	-0.051

<r²>	248.720
(<r²>)^1/2	15.771

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)