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	hartrees
Energy at 0K	-351.804168
Energy at 298.15K
HF Energy	-351.804168
Nuclear repulsion energy	165.689524

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	2408	2373	0.00	535.88	0.30	0.47
2	Σ_g	1421	1401	0.00	39.17	0.33	0.50
3	Σ_g	554	546	0.00	11.61	0.24	0.39
4	Σ_u	2314	2281	380.72	0.00	0.00	0.00
5	Σ_u	1057	1042	351.94	0.00	0.00	0.00
6	Π_g	341	336	0.00	5.08	0.75	0.86
6	Π_g	341	336	0.00	5.08	0.75	0.86
7	Π_g	263	259	0.00	39.55	0.75	0.86
7	Π_g	263	259	0.00	39.55	0.75	0.86
8	Π_u	307	303	0.73	0.00	0.00	0.00
8	Π_u	307	303	0.73	0.00	0.00	0.00
9	Π_u	108	106	0.65	0.00	0.00	0.00
9	Π_u	108	106	0.65	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	1.892
C4	0.000	0.000	-1.892
F5	0.000	0.000	3.173
F6	0.000	0.000	-3.173

	C1	C2	C3	C4	F5	F6
C1		1.3619	1.2108	2.5727	2.4924	3.8543
C2	1.3619		2.5727	1.2108	3.8543	2.4924
C3	1.2108	2.5727		3.7835	1.2816	5.0651
C4	2.5727	1.2108	3.7835		5.0651	1.2816
F5	2.4924	3.8543	1.2816	5.0651		6.3467
F6	3.8543	2.4924	5.0651	1.2816	6.3467

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: B97D3/6-311G**

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	0.064
2	C	0.064
3	C	0.034
4	C	0.034
5	F	-0.098
6	F	-0.098

<r²>	248.389
(<r²>)^1/2	15.760

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)