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	hartrees
Energy at 0K	-349.945095
Energy at 298.15K
HF Energy	-349.945095
Nuclear repulsion energy	163.694489

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	2425	2411	0.00	394.23	0.34	0.50
2	Σ_g	1427	1419	0.00	38.37	0.32	0.49
3	Σ_g	556	553	0.00	12.03	0.28	0.44
4	Σ_u	2328	2315	188.65	0.00	0.00	0.00
5	Σ_u	1073	1067	184.81	0.00	0.00	0.00
6	Π_g	521	518	0.00	44.93	0.75	0.86
6	Π_g	521	518	0.00	44.93	0.75	0.86
7	Π_g	315	313	0.00	6.70	0.75	0.86
7	Π_g	315	313	0.00	6.70	0.75	0.86
8	Π_u	387	385	0.07	0.00	0.00	0.00
8	Π_u	387	385	0.07	0.00	0.00	0.00
9	Π_u	98	98	0.42	0.00	0.00	0.00
9	Π_u	98	98	0.42	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.679
C2	0.000	0.000	-0.679
C3	0.000	0.000	1.895
C4	0.000	0.000	-1.895
F5	0.000	0.000	3.212
F6	0.000	0.000	-3.212

	C1	C2	C3	C4	F5	F6
C1		1.3578	1.2160	2.5738	2.5332	3.8910
C2	1.3578		2.5738	1.2160	3.8910	2.5332
C3	1.2160	2.5738		3.7897	1.3172	5.1070
C4	2.5738	1.2160	3.7897		5.1070	1.3172
F5	2.5332	3.8910	1.3172	5.1070		6.4242
F6	3.8910	2.5332	5.1070	1.3172	6.4242

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/3-21G

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	0.371
2	C	0.371
3	C	-0.161
4	C	-0.161
5	F	-0.211
6	F	-0.211

<r²>	252.973
(<r²>)^1/2	15.905

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)