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Geometry for C4 (Carbon tetramer) 3Σg D*H

1910171554
InChI=1S/C4/c1-2-4-3-1 INChIKey=ZJRINDVWMDPKLP-UHFFFAOYSA-N

CCSD(T)=FULL/daug-cc-pVDZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6563
C2 0.0000 0.0000 -0.6563
C3 0.0000 0.0000 1.9916
C4 0.0000 0.0000 -1.9916
Atom - Atom Distances (Å)
  C1 C2 C3 C4
C1 1.3126 1.3353 2.6480
C2 1.3126 2.6480 1.3353
C3 1.3353 2.6480 3.9833
C4 2.6480 1.3353 3.9833
Maximum atom distance is 3.9833Å between atoms C3 and C4.
picture of Carbon tetramer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 180.000 C2 C1 C3 180.000

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.