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	hartrees
Energy at 0K	-351.206343
Energy at 298.15K
HF Energy	-350.226719
Nuclear repulsion energy	164.803199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2394	2321
2	Σ_g	1419	1376
3	Σ_g	542	525
4	Σ_u	2281	2211
5	Σ_u	1059	1027
6	Π_g	309	300
6	Π_g	309	300
7	Π_g	126	122
7	Π_g	126	122
8	Π_u	324	314
8	Π_u	324	314
9	Π_u	104	101
9	Π_u	104	101

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.690
C2	0.000	0.000	-0.690
C3	0.000	0.000	1.907
C4	0.000	0.000	-1.907
F5	0.000	0.000	3.191
F6	0.000	0.000	-3.191

	C1	C2	C3	C4	F5	F6
C1		1.3807	1.2166	2.5972	2.5007	3.8813
C2	1.3807		2.5972	1.2166	3.8813	2.5007
C3	1.2166	2.5972		3.8138	1.2841	5.0979
C4	2.5972	1.2166	3.8138		5.0979	1.2841
F5	2.5007	3.8813	1.2841	5.0979		6.3820
F6	3.8813	2.5007	5.0979	1.2841	6.3820

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: MP4/6-311G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: MP4/6-311G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)