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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

LSDA/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3961   0.3961 0.0000 0.0000
O2 0.0000 0.0000 1.6377   1.6377 0.0000 0.0000
C3 0.0000 0.7808 -0.8888   -0.8888 0.7808 0.0000
C4 0.0000 -0.7808 -0.8888   -0.8888 -0.7808 0.0000
H5 0.9213 1.2887 -1.2030   -1.2030 1.2887 0.9213
H6 -0.9213 1.2887 -1.2030   -1.2030 1.2887 -0.9213
H7 -0.9213 -1.2887 -1.2030   -1.2030 -1.2887 -0.9213
H8 0.9213 -1.2887 -1.2030   -1.2030 -1.2887 0.9213
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8
C1 1.2417 1.5035 1.5035 2.2509 2.2509 2.2509 2.2509
O2 1.2417 2.6445 2.6445 3.2526 3.2526 3.2526 3.2526
C3 1.5035 2.6445 1.5616 1.0979 1.0979 2.2870 2.2870
C4 1.5035 2.6445 1.5616 2.2870 2.2870 1.0979 1.0979
H5 2.2509 3.2526 1.0979 2.2870 1.8425 3.1683 2.5775
H6 2.2509 3.2526 1.0979 2.2870 1.8425 2.5775 3.1683
H7 2.2509 3.2526 2.2870 1.0979 3.1683 2.5775 1.8425
H8 2.2509 3.2526 2.2870 1.0979 2.5775 3.1683 1.8425
Maximum atom distance is 3.2526Å 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 58.714 C1 C4 C3 58.714
O2 C1 C3 148.714 O2 C1 C4 148.714
C3 C1 C4 62.572
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 118.998 C1 C3 H6 118.998
C1 C4 H7 118.998 C1 C4 H8 118.998
C3 C4 H7 117.557 C3 C4 H8 117.557
C4 C3 H5 117.557 C4 C3 H6 117.557
H5 C3 H6 114.091 H7 C4 H8 114.091

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