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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

PBEPBEultrafine/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8743 0.0000   0.8743 0.0000 0.0000
C2 0.7571 -0.4371 0.0000   -0.4371 0.7571 0.0000
C3 -0.7571 -0.4371 0.0000   -0.4371 -0.7571 0.0000
H4 0.0000 1.4717 0.9236   1.4717 0.0000 0.9236
H5 1.2746 -0.7359 0.9236   -0.7359 1.2746 0.9236
H6 -1.2746 -0.7359 0.9236   -0.7359 -1.2746 0.9236
H7 0.0000 1.4717 -0.9236   1.4717 0.0000 -0.9236
H8 1.2746 -0.7359 -0.9236   -0.7359 1.2746 -0.9236
H9 -1.2746 -0.7359 -0.9236   -0.7359 -1.2746 -0.9236
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5143 1.5143 1.1000 2.2517 2.2517 1.1000 2.2517 2.2517
C2 1.5143 1.5143 2.2517 1.1000 2.2517 2.2517 1.1000 2.2517
C3 1.5143 1.5143 2.2517 2.2517 1.1000 2.2517 2.2517 1.1000
H4 1.1000 2.2517 2.2517 2.5491 2.5491 1.8472 3.1480 3.1480
H5 2.2517 1.1000 2.2517 2.5491 2.5491 3.1480 1.8472 3.1480
H6 2.2517 2.2517 1.1000 2.5491 2.5491 3.1480 3.1480 1.8472
H7 1.1000 2.2517 2.2517 1.8472 3.1480 3.1480 2.5491 2.5491
H8 2.2517 1.1000 2.2517 3.1480 1.8472 3.1480 2.5491 2.5491
H9 2.2517 2.2517 1.1000 3.1480 3.1480 1.8472 2.5491 2.5491
Maximum atom distance is 3.1480Å 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 118.059 C1 C2 H8 118.059
C1 C3 H6 118.059 C1 C3 H9 118.059
C2 C1 H4 118.059 C2 C1 H7 118.059
C2 C3 H6 118.059 C2 C3 H9 118.059
C3 C1 H4 118.059 C3 C1 H7 118.059
C3 C2 H5 118.059 C3 C2 H8 118.059
H4 C1 H7 114.204 H5 C2 H8 114.204
H6 C3 H9 114.204

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