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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

CCSD=FULL/aug-cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8773 0.0000   0.7669 0.4260 0.0000
C2 0.7597 -0.4386 0.0000   -0.7524 0.4511 0.0000
C3 -0.7597 -0.4386 0.0000   -0.0145 -0.8772 0.0000
H4 0.0000 1.4663 0.9199   1.2818 0.7121 0.9199
H5 1.2699 -0.7332 0.9199   -1.2576 0.7540 0.9199
H6 -1.2699 -0.7332 0.9199   -0.0242 -1.4661 0.9199
H7 0.0000 1.4663 -0.9199   1.2818 0.7121 -0.9199
H8 1.2699 -0.7332 -0.9199   -1.2576 0.7540 -0.9199
H9 -1.2699 -0.7332 -0.9199   -0.0242 -1.4661 -0.9199
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5195 1.5195 1.0923 2.2477 2.2477 1.0923 2.2477 2.2477
C2 1.5195 1.5195 2.2477 1.0923 2.2477 2.2477 1.0923 2.2477
C3 1.5195 1.5195 2.2477 2.2477 1.0923 2.2477 2.2477 1.0923
H4 1.0923 2.2477 2.2477 2.5398 2.5398 1.8397 3.1361 3.1361
H5 2.2477 1.0923 2.2477 2.5398 2.5398 3.1361 1.8397 3.1361
H6 2.2477 2.2477 1.0923 2.5398 2.5398 3.1361 3.1361 1.8397
H7 1.0923 2.2477 2.2477 1.8397 3.1361 3.1361 2.5398 2.5398
H8 2.2477 1.0923 2.2477 3.1361 1.8397 3.1361 2.5398 2.5398
H9 2.2477 2.2477 1.0923 3.1361 3.1361 1.8397 2.5398 2.5398
Maximum atom distance is 3.1361Å 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 117.842 C1 C2 H8 117.842
C1 C3 H6 117.842 C1 C3 H9 117.842
C2 C1 H4 117.842 C2 C1 H7 117.842
C2 C3 H6 117.842 C2 C3 H9 117.842
C3 C1 H4 117.842 C3 C1 H7 117.842
C3 C2 H5 117.842 C3 C2 H8 117.842
H4 C1 H7 114.730 H5 C2 H8 114.730
H6 C3 H9 114.730

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