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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

mPW1PW91/6-31G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8725 0.0000   0.6384 0.5948 0.0000
C2 0.7556 -0.4363 0.0000   -0.8343 0.2555 0.0000
C3 -0.7556 -0.4363 0.0000   0.1959 -0.8503 0.0000
H4 0.0000 1.4647 0.9073   1.0716 0.9985 0.9073
H5 1.2685 -0.7324 0.9073   -1.4005 0.4288 0.9073
H6 -1.2685 -0.7324 0.9073   0.3289 -1.4273 0.9073
H7 0.0000 1.4647 -0.9073   1.0716 0.9985 -0.9073
H8 1.2685 -0.7324 -0.9073   -1.4005 0.4288 -0.9073
H9 -1.2685 -0.7324 -0.9073   0.3289 -1.4273 -0.9073
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5113 1.5113 1.0834 2.2378 2.2378 1.0834 2.2378 2.2378
C2 1.5113 1.5113 2.2378 1.0834 2.2378 2.2378 1.0834 2.2378
C3 1.5113 1.5113 2.2378 2.2378 1.0834 2.2378 2.2378 1.0834
H4 1.0834 2.2378 2.2378 2.5369 2.5369 1.8146 3.1191 3.1191
H5 2.2378 1.0834 2.2378 2.5369 2.5369 3.1191 1.8146 3.1191
H6 2.2378 2.2378 1.0834 2.5369 2.5369 3.1191 3.1191 1.8146
H7 1.0834 2.2378 2.2378 1.8146 3.1191 3.1191 2.5369 2.5369
H8 2.2378 1.0834 2.2378 3.1191 1.8146 3.1191 2.5369 2.5369
H9 2.2378 2.2378 1.0834 3.1191 3.1191 1.8146 2.5369 2.5369
Maximum atom distance is 3.1191Å 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 118.251 C1 C2 H8 118.251
C1 C3 H6 118.251 C1 C3 H9 118.251
C2 C1 H4 118.251 C2 C1 H7 118.251
C2 C3 H6 118.251 C2 C3 H9 118.251
C3 C1 H4 118.251 C3 C1 H7 118.251
C3 C2 H5 118.251 C3 C2 H8 118.251
H4 C1 H7 113.737 H5 C2 H8 113.737
H6 C3 H9 113.737

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