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	hartrees
Energy at 0K	-351.323272
Energy at 298.15K
HF Energy	-350.227142
Nuclear repulsion energy	164.942545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2400	2308
2	Σ_g	1423	1368
3	Σ_g	543	522
4	Σ_u	2286	2198
5	Σ_u	1062	1021
6	Π_g	315	303
6	Π_g	315	303
7	Π_g	237	228
7	Π_g	237	228
8	Π_u	336	323
8	Π_u	336	323
9	Π_u	107	103
9	Π_u	107	103

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	1.905
C4	0.000	0.000	-1.905
F5	0.000	0.000	3.188
F6	0.000	0.000	-3.188

	C1	C2	C3	C4	F5	F6
C1		1.3791	1.2157	2.5948	2.4987	3.8778
C2	1.3791		2.5948	1.2157	3.8778	2.4987
C3	1.2157	2.5948		3.8105	1.2830	5.0935
C4	2.5948	1.2157	3.8105		5.0935	1.2830
F5	2.4987	3.8778	1.2830	5.0935		6.3766
F6	3.8778	2.4987	5.0935	1.2830	6.3766

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=FULL/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=FULL/6-311G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)