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	hartrees
Energy at 0K	-351.659582
Energy at 298.15K
HF Energy	-351.659582
Nuclear repulsion energy	166.866935

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	2510	2410	0.00	557.27	0.30	0.46
2	Σ_g	1469	1411	0.00	38.77	0.34	0.51
3	Σ_g	570	548	0.00	8.20	0.22	0.37
4	Σ_u	2405	2310	420.74	0.00	0.00	0.00
5	Σ_u	1106	1062	361.88	0.00	0.00	0.00
6	Π_g	394	379	0.00	34.09	0.75	0.86
6	Π_g	394	379	0.00	34.09	0.75	0.86
7	Π_g	329	316	0.00	11.07	0.75	0.86
7	Π_g	329	316	0.00	11.07	0.75	0.86
8	Π_u	389	374	2.37	0.00	0.00	0.00
8	Π_u	389	374	2.37	0.00	0.00	0.00
9	Π_u	112	107	0.63	0.00	0.00	0.00
9	Π_u	112	107	0.63	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	1.881
C4	0.000	0.000	-1.881
F5	0.000	0.000	3.151
F6	0.000	0.000	-3.151

	C1	C2	C3	C4	F5	F6
C1		1.3643	1.1991	2.5634	2.4693	3.8336
C2	1.3643		2.5634	1.1991	3.8336	2.4693
C3	1.1991	2.5634		3.7625	1.2702	5.0327
C4	2.5634	1.1991	3.7625		5.0327	1.2702
F5	2.4693	3.8336	1.2702	5.0327		6.3029
F6	3.8336	2.4693	5.0327	1.2702	6.3029

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: HSEh1PBE/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	0.003
2	C	0.003
3	C	0.105
4	C	0.105
5	F	-0.109
6	F	-0.109

<r²>	245.555
(<r²>)^1/2	15.670

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)