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Geometry for C3H6 (Cyclopropane) 1A1' D3H

1910171554
InChI=1S/C3H6/c1-2-3-1/h1-3H2 INChIKey=LVZWSLJZHVFIQJ-UHFFFAOYSA-N

CCD/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8752 0.0000   0.0000 0.8752 0.0000
C2 0.7579 -0.4376 0.0000   0.7579 -0.4376 0.0000
C3 -0.7579 -0.4376 0.0000   -0.7579 -0.4376 0.0000
H4 0.0000 1.4679 0.9209   0.0000 1.4679 0.9209
H5 1.2712 -0.7339 0.9209   1.2712 -0.7339 0.9209
H6 -1.2712 -0.7339 0.9209   -1.2712 -0.7339 0.9209
H7 0.0000 1.4679 -0.9209   0.0000 1.4679 -0.9209
H8 1.2712 -0.7339 -0.9209   1.2712 -0.7339 -0.9209
H9 -1.2712 -0.7339 -0.9209   -1.2712 -0.7339 -0.9209
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5158 1.5158 1.0951 2.2479 2.2479 1.0951 2.2479 2.2479
C2 1.5158 1.5158 2.2479 1.0951 2.2479 2.2479 1.0951 2.2479
C3 1.5158 1.5158 2.2479 2.2479 1.0951 2.2479 2.2479 1.0951
H4 1.0951 2.2479 2.2479 2.5424 2.5424 1.8418 3.1394 3.1394
H5 2.2479 1.0951 2.2479 2.5424 2.5424 3.1394 1.8418 3.1394
H6 2.2479 2.2479 1.0951 2.5424 2.5424 3.1394 3.1394 1.8418
H7 1.0951 2.2479 2.2479 1.8418 3.1394 3.1394 2.5424 2.5424
H8 2.2479 1.0951 2.2479 3.1394 1.8418 3.1394 2.5424 2.5424
H9 2.2479 2.2479 1.0951 3.1394 3.1394 1.8418 2.5424 2.5424
Maximum atom distance is 3.1394Å between atoms H5 and H9.
picture of Cyclopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 60.000 C1 C3 C2 60.000
C2 C1 C3 60.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 117.950 C1 C2 H8 117.950
C1 C3 H6 117.950 C1 C3 H9 117.950
C2 C1 H4 117.950 C2 C1 H7 117.950
C2 C3 H6 117.950 C2 C3 H9 117.950
C3 C1 H4 117.950 C3 C1 H7 117.950
C3 C2 H5 117.950 C3 C2 H8 117.950
H4 C1 H7 114.468 H5 C2 H8 114.468
H6 C3 H9 114.468

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