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	hartrees
Energy at 0K	-351.761111
Energy at 298.15K
HF Energy	-351.761111
Nuclear repulsion energy	165.880294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2499	2391	0.00
2	Σ_g	1473	1410	0.00
3	Σ_g	573	548	0.00
4	Σ_u	2399	2295	360.20
5	Σ_u	1112	1064	316.58
6	Π_g	515	493	0.00
6	Π_g	515	493	0.00
7	Π_g	303	290	0.00
7	Π_g	303	290	0.00
8	Π_u	355	340	1.40
8	Π_u	355	340	1.40
9	Π_u	119	114	0.33
9	Π_u	119	114	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.684
C2	0.000	0.000	-0.684
C3	0.000	0.000	1.890
C4	0.000	0.000	-1.890
F5	0.000	0.000	3.170
F6	0.000	0.000	-3.170

	C1	C2	C3	C4	F5	F6
C1		1.3670	1.2068	2.5738	2.4865	3.8535
C2	1.3670		2.5738	1.2068	3.8535	2.4865
C3	1.2068	2.5738		3.7806	1.2797	5.0603
C4	2.5738	1.2068	3.7806		5.0603	1.2797
F5	2.4865	3.8535	1.2797	5.0603		6.3400
F6	3.8535	2.4865	5.0603	1.2797	6.3400

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: B3PW91/6-31G*

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	0.665
2	C	0.665
3	C	-0.508
4	C	-0.508
5	F	-0.157
6	F	-0.157

<r²>	247.547
(<r²>)^1/2	15.734

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)