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Geometry for C3H4O (Cyclopropanone) 1A1 C2V

1910171554
InChI=1S/C3H4O/c4-3-1-2-3/h1-2H2 INChIKey=VBBRYJMZLIYUJQ-UHFFFAOYSA-N

QCISD/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4084   0.4084 0.0000 0.0000
O2 0.0000 0.0000 1.6837   1.6837 0.0000 0.0000
C3 0.0000 0.8020 -0.8435   -0.8435 0.8020 0.0000
C4 0.0000 -0.8020 -0.8435   -0.8435 -0.8020 0.0000
H5 0.8087 0.7263 -1.4496   -1.4496 0.7263 0.8087
H6 -0.8087 0.7263 -1.4496   -1.4496 0.7263 -0.8087
H7 -0.8087 -0.7263 -1.4496   -1.4496 -0.7263 -0.8087
H8 0.8087 -0.7263 -1.4496   -1.4496 -0.7263 0.8087
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8
C1 1.2752 1.4868 1.4868 2.1526 2.1526 2.1526 2.1526
O2 1.2752 2.6513 2.6513 3.3164 3.3164 3.3164 3.3164
C3 1.4868 2.6513 1.6040 1.0134 1.0134 1.8323 1.8323
C4 1.4868 2.6513 1.6040 1.8323 1.8323 1.0134 1.0134
H5 2.1526 3.3164 1.0134 1.8323 1.6173 2.1739 1.4527
H6 2.1526 3.3164 1.0134 1.8323 1.6173 1.4527 2.1739
H7 2.1526 3.3164 1.8323 1.0134 2.1739 1.4527 1.6173
H8 2.1526 3.3164 1.8323 1.0134 1.4527 2.1739 1.6173
Maximum atom distance is 3.3164Å between atoms O2 and H5.
picture of Cyclopropanone
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C4 57.355 C1 C4 C3 57.355
O2 C1 C3 147.355 O2 C1 C4 147.355
C3 C1 C4 65.289
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 117.603 C1 C3 H6 117.603
C1 C4 H7 117.603 C1 C4 H8 117.603
C3 C4 H7 85.718 C3 C4 H8 85.718
C4 C3 H5 85.718 C4 C3 H6 85.718
H5 C3 H6 105.868 H7 C4 H8 105.868

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