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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/CEP-121G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8818 0.0000   0.7223 0.5059 0.0000
C2 0.7637 -0.4409 0.0000   -0.7993 0.3726 0.0000
C3 -0.7637 -0.4409 0.0000   0.0770 -0.8785 0.0000
H4 0.0000 1.4714 0.9104   1.2052 0.8442 0.9104
H5 1.2743 -0.7357 0.9104   -1.3337 0.6217 0.9104
H6 -1.2743 -0.7357 0.9104   0.1285 -1.4658 0.9104
H7 0.0000 1.4714 -0.9104   1.2052 0.8442 -0.9104
H8 1.2743 -0.7357 -0.9104   -1.3337 0.6217 -0.9104
H9 -1.2743 -0.7357 -0.9104   0.1285 -1.4658 -0.9104
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5274 1.5274 1.0846 2.2515 2.2515 1.0846 2.2515 2.2515
C2 1.5274 1.5274 2.2515 1.0846 2.2515 2.2515 1.0846 2.2515
C3 1.5274 1.5274 2.2515 2.2515 1.0846 2.2515 2.2515 1.0846
H4 1.0846 2.2515 2.2515 2.5486 2.5486 1.8208 3.1322 3.1322
H5 2.2515 1.0846 2.2515 2.5486 2.5486 3.1322 1.8208 3.1322
H6 2.2515 2.2515 1.0846 2.5486 2.5486 3.1322 3.1322 1.8208
H7 1.0846 2.2515 2.2515 1.8208 3.1322 3.1322 2.5486 2.5486
H8 2.2515 1.0846 2.2515 3.1322 1.8208 3.1322 2.5486 2.5486
H9 2.2515 2.2515 1.0846 3.1322 3.1322 1.8208 2.5486 2.5486
Maximum atom distance is 3.1322Å 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 118.083 C1 C2 H8 118.083
C1 C3 H6 118.083 C1 C3 H9 118.083
C2 C1 H4 118.083 C2 C1 H7 118.083
C2 C3 H6 118.083 C2 C3 H9 118.083
C3 C1 H4 118.083 C3 C1 H7 118.083
C3 C2 H5 118.083 C3 C2 H8 118.083
H4 C1 H7 114.145 H5 C2 H8 114.145
H6 C3 H9 114.145

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