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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B1B95/6-31G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8709 0.0000   0.0000 0.8709 0.0000
C2 0.7542 -0.4355 0.0000   0.7542 -0.4355 0.0000
C3 -0.7542 -0.4355 0.0000   -0.7542 -0.4355 0.0000
H4 0.0000 1.4629 0.9060   0.0000 1.4629 0.9060
H5 1.2669 -0.7315 0.9060   1.2669 -0.7315 0.9060
H6 -1.2669 -0.7315 0.9060   -1.2669 -0.7315 0.9060
H7 0.0000 1.4629 -0.9060   0.0000 1.4629 -0.9060
H8 1.2669 -0.7315 -0.9060   1.2669 -0.7315 -0.9060
H9 -1.2669 -0.7315 -0.9060   -1.2669 -0.7315 -0.9060
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5084 1.5084 1.0823 2.2346 2.2346 1.0823 2.2346 2.2346
C2 1.5084 1.5084 2.2346 1.0823 2.2346 2.2346 1.0823 2.2346
C3 1.5084 1.5084 2.2346 2.2346 1.0823 2.2346 2.2346 1.0823
H4 1.0823 2.2346 2.2346 2.5339 2.5339 1.8121 3.1151 3.1151
H5 2.2346 1.0823 2.2346 2.5339 2.5339 3.1151 1.8121 3.1151
H6 2.2346 2.2346 1.0823 2.5339 2.5339 3.1151 3.1151 1.8121
H7 1.0823 2.2346 2.2346 1.8121 3.1151 3.1151 2.5339 2.5339
H8 2.2346 1.0823 2.2346 3.1151 1.8121 3.1151 2.5339 2.5339
H9 2.2346 2.2346 1.0823 3.1151 3.1151 1.8121 2.5339 2.5339
Maximum atom distance is 3.1151Å 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 118.276 C1 C2 H8 118.276
C1 C3 H6 118.276 C1 C3 H9 118.276
C2 C1 H4 118.276 C2 C1 H7 118.276
C2 C3 H6 118.276 C2 C3 H9 118.276
C3 C1 H4 118.276 C3 C1 H7 118.276
C3 C2 H5 118.276 C3 C2 H8 118.276
H4 C1 H7 113.677 H5 C2 H8 113.677
H6 C3 H9 113.677

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