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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

BLYP/STO-3G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6618
C2 0.0000 0.0000 -0.6618
C3 0.0000 0.0000 2.0306
C4 0.0000 0.0000 -2.0306
Atom - Atom Distances (Å)
  C1 C2 C3 C4
C1 1.3236 1.3688 2.6924
C2 1.3236 2.6924 1.3688
C3 1.3688 2.6924 4.0612
C4 2.6924 1.3688 4.0612
Maximum atom distance is 4.0612Å 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.