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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

HF/6-311G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8656 0.0000   0.8656 0.0000 0.0000
C2 0.7497 -0.4328 0.0000   -0.4328 0.7497 0.0000
C3 -0.7497 -0.4328 0.0000   -0.4328 -0.7497 0.0000
H4 0.0000 1.4508 0.9023   1.4508 0.0000 0.9023
H5 1.2564 -0.7254 0.9023   -0.7254 1.2564 0.9023
H6 -1.2564 -0.7254 0.9023   -0.7254 -1.2564 0.9023
H7 0.0000 1.4508 -0.9023   1.4508 0.0000 -0.9023
H8 1.2564 -0.7254 -0.9023   -0.7254 1.2564 -0.9023
H9 -1.2564 -0.7254 -0.9023   -0.7254 -1.2564 -0.9023
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4993 1.4993 1.0755 2.2191 2.2191 1.0755 2.2191 2.2191
C2 1.4993 1.4993 2.2191 1.0755 2.2191 2.2191 1.0755 2.2191
C3 1.4993 1.4993 2.2191 2.2191 1.0755 2.2191 2.2191 1.0755
H4 1.0755 2.2191 2.2191 2.5129 2.5129 1.8047 3.0938 3.0938
H5 2.2191 1.0755 2.2191 2.5129 2.5129 3.0938 1.8047 3.0938
H6 2.2191 2.2191 1.0755 2.5129 2.5129 3.0938 3.0938 1.8047
H7 1.0755 2.2191 2.2191 1.8047 3.0938 3.0938 2.5129 2.5129
H8 2.2191 1.0755 2.2191 3.0938 1.8047 3.0938 2.5129 2.5129
H9 2.2191 2.2191 1.0755 3.0938 3.0938 1.8047 2.5129 2.5129
Maximum atom distance is 3.0938Å 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 118.113 C1 C2 H8 118.113
C1 C3 H6 118.113 C1 C3 H9 118.113
C2 C1 H4 118.113 C2 C1 H7 118.113
C2 C3 H6 118.113 C2 C3 H9 118.113
C3 C1 H4 118.113 C3 C1 H7 118.113
C3 C2 H5 118.113 C3 C2 H8 118.113
H4 C1 H7 114.073 H5 C2 H8 114.073
H6 C3 H9 114.073

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