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Geometry for H2CCCCH2 (Butatriene) 1Ag D2H

1910171554
InChI=1S/C4H4/c1-3-4-2/h1-2H2 INChIKey=WHVXVDDUYCELKP-UHFFFAOYSA-N

HF/SDD


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6364   0.6364 0.0000 0.0000
C2 0.0000 0.0000 -0.6364   -0.6364 0.0000 0.0000
C3 0.0000 0.0000 1.9520   1.9520 0.0000 0.0000
C4 0.0000 0.0000 -1.9520   -1.9520 0.0000 0.0000
H5 0.0000 0.9178 2.5108   2.5108 0.9178 0.0000
H6 0.0000 -0.9178 2.5108   2.5108 -0.9178 0.0000
H7 0.0000 0.9178 -2.5108   -2.5108 0.9178 0.0000
H8 0.0000 -0.9178 -2.5108   -2.5108 -0.9178 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8
C1 1.2728 1.3155 2.5884 2.0870 2.0870 3.2783 3.2783
C2 1.2728 2.5884 1.3155 3.2783 3.2783 2.0870 2.0870
C3 1.3155 2.5884 3.9039 1.0746 1.0746 4.5562 4.5562
C4 2.5884 1.3155 3.9039 4.5562 4.5562 1.0746 1.0746
H5 2.0870 3.2783 1.0746 4.5562 1.8357 5.0216 5.3466
H6 2.0870 3.2783 1.0746 4.5562 1.8357 5.3466 5.0216
H7 3.2783 2.0870 4.5562 1.0746 5.0216 5.3466 1.8357
H8 3.2783 2.0870 4.5562 1.0746 5.3466 5.0216 1.8357
Maximum atom distance is 5.3466Å between atoms H5 and H8.
picture of Butatriene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 180.000 C2 C1 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 121.336 C1 C3 H6 121.336
C2 C4 H7 121.336 C2 C4 H8 121.336
H5 C3 H6 117.327 H7 C4 H8 117.327

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