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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

MP4/6-311G**


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6511
C2 0.0000 0.0000 -0.6511
C3 0.0000 0.0000 1.9726
C4 0.0000 0.0000 -1.9726
Atom - Atom Distances (Å)
  C1 C2 C3 C4
C1 1.3023 1.3215 2.6238
C2 1.3023 2.6238 1.3215
C3 1.3215 2.6238 3.9453
C4 2.6238 1.3215 3.9453
Maximum atom distance is 3.9453Å 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.