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	hartrees
Energy at 0K	-351.961634
Energy at 298.15K
HF Energy	-351.961634
Nuclear repulsion energy	165.019661

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	2377	2368	0.00	530.85	0.31	0.47
2	Σ_g	1397	1392	0.00	37.69	0.33	0.50
3	Σ_g	547	545	0.00	11.72	0.24	0.39
4	Σ_u	2286	2277	348.17	0.00	0.00	0.00
5	Σ_u	1038	1034	333.69	0.00	0.00	0.00
6	Π_g	335	334	0.00	5.10	0.75	0.86
6	Π_g	335	334	0.00	5.10	0.75	0.86
7	Π_g	256	255	0.00	39.18	0.75	0.86
7	Π_g	256	255	0.00	39.18	0.75	0.86
8	Π_u	304	303	0.34	0.00	0.00	0.00
8	Π_u	304	303	0.34	0.00	0.00	0.00
9	Π_u	108	107	0.53	0.00	0.00	0.00
9	Π_u	108	107	0.53	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	1.895
C4	0.000	0.000	-1.895
F5	0.000	0.000	3.186
F6	0.000	0.000	-3.186

	C1	C2	C3	C4	F5	F6
C1		1.3642	1.2129	2.5772	2.5041	3.8684
C2	1.3642		2.5772	1.2129	3.8684	2.5041
C3	1.2129	2.5772		3.7901	1.2912	5.0813
C4	2.5772	1.2129	3.7901		5.0813	1.2912
F5	2.5041	3.8684	1.2912	5.0813		6.3725
F6	3.8684	2.5041	5.0813	1.2912	6.3725

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/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	0.042
2	C	0.042
3	C	0.044
4	C	0.044
5	F	-0.085
6	F	-0.085

<r²>	250.259
(<r²>)^1/2	15.820

All results from a given calculation for C4F2 (difluorobutadiyne)

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

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)