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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

HF/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3840   0.3840 0.0000 0.0000
O2 0.0000 0.0000 1.5552   1.5552 0.0000 0.0000
C3 0.0000 0.7797 -0.8479   -0.8479 0.7797 0.0000
C4 0.0000 -0.7797 -0.8479   -0.8479 -0.7797 0.0000
H5 0.9064 1.2764 -1.1428   -1.1428 1.2764 0.9064
H6 -0.9064 1.2764 -1.1428   -1.1428 1.2764 -0.9064
H7 -0.9064 -1.2764 -1.1428   -1.1428 -1.2764 -0.9064
H8 0.9064 -1.2764 -1.1428   -1.1428 -1.2764 0.9064
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8
C1 1.1712 1.4579 1.4579 2.1868 2.1868 2.1868 2.1868
O2 1.1712 2.5264 2.5264 3.1193 3.1193 3.1193 3.1193
C3 1.4579 2.5264 1.5593 1.0748 1.0748 2.2662 2.2662
C4 1.4579 2.5264 1.5593 2.2662 2.2662 1.0748 1.0748
H5 2.1868 3.1193 1.0748 2.2662 1.8128 3.1310 2.5528
H6 2.1868 3.1193 1.0748 2.2662 1.8128 2.5528 3.1310
H7 2.1868 3.1193 2.2662 1.0748 3.1310 2.5528 1.8128
H8 2.1868 3.1193 2.2662 1.0748 2.5528 3.1310 1.8128
Maximum atom distance is 3.1310Å between atoms H5 and H7.
picture of Cyclopropanone
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C4 57.671 C1 C4 C3 57.671
O2 C1 C3 147.671 O2 C1 C4 147.671
C3 C1 C4 64.657
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 118.619 C1 C3 H6 118.619
C1 C4 H7 118.619 C1 C4 H8 118.619
C3 C4 H7 117.526 C3 C4 H8 117.526
C4 C3 H5 117.526 C4 C3 H6 117.526
H5 C3 H6 114.979 H7 C4 H8 114.979

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