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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

wB97X-D/6-311G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8686 0.0000   -0.1391 0.8574 0.0000
C2 0.7522 -0.4343 0.0000   0.8121 -0.3082 0.0000
C3 -0.7522 -0.4343 0.0000   -0.6730 -0.5492 0.0000
H4 0.0000 1.4569 0.9105   -0.2334 1.4380 0.9105
H5 1.2617 -0.7284 0.9105   1.3621 -0.5169 0.9105
H6 -1.2617 -0.7284 0.9105   -1.1287 -0.9211 0.9105
H7 0.0000 1.4569 -0.9105   -0.2334 1.4380 -0.9105
H8 1.2617 -0.7284 -0.9105   1.3621 -0.5169 -0.9105
H9 -1.2617 -0.7284 -0.9105   -1.1287 -0.9211 -0.9105
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5045 1.5045 1.0840 2.2297 2.2297 1.0840 2.2297 2.2297
C2 1.5045 1.5045 2.2297 1.0840 2.2297 2.2297 1.0840 2.2297
C3 1.5045 1.5045 2.2297 2.2297 1.0840 2.2297 2.2297 1.0840
H4 1.0840 2.2297 2.2297 2.5233 2.5233 1.8211 3.1119 3.1119
H5 2.2297 1.0840 2.2297 2.5233 2.5233 3.1119 1.8211 3.1119
H6 2.2297 2.2297 1.0840 2.5233 2.5233 3.1119 3.1119 1.8211
H7 1.0840 2.2297 2.2297 1.8211 3.1119 3.1119 2.5233 2.5233
H8 2.2297 1.0840 2.2297 3.1119 1.8211 3.1119 2.5233 2.5233
H9 2.2297 2.2297 1.0840 3.1119 3.1119 1.8211 2.5233 2.5233
Maximum atom distance is 3.1119Å between atoms H4 and H8.
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 118.031 C1 C2 H8 118.031
C1 C3 H6 118.031 C1 C3 H9 118.031
C2 C1 H4 118.031 C2 C1 H7 118.031
C2 C3 H6 118.031 C2 C3 H9 118.031
C3 C1 H4 118.031 C3 C1 H7 118.031
C3 C2 H5 118.031 C3 C2 H8 118.031
H4 C1 H7 114.273 H5 C2 H8 114.273
H6 C3 H9 114.273

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