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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP2/3-21G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8835 0.0000   0.6936 0.5473 0.0000
C2 0.7652 -0.4418 0.0000   -0.8208 0.3271 0.0000
C3 -0.7652 -0.4418 0.0000   0.1271 -0.8743 0.0000
H4 0.0000 1.4657 0.9130   1.1507 0.9079 0.9130
H5 1.2694 -0.7329 0.9130   -1.3616 0.5426 0.9130
H6 -1.2694 -0.7329 0.9130   0.2109 -1.4505 0.9130
H7 0.0000 1.4657 -0.9130   1.1507 0.9079 -0.9130
H8 1.2694 -0.7329 -0.9130   -1.3616 0.5426 -0.9130
H9 -1.2694 -0.7329 -0.9130   0.2109 -1.4505 -0.9130
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5303 1.5303 1.0828 2.2489 2.2489 1.0828 2.2489 2.2489
C2 1.5303 1.5303 2.2489 1.0828 2.2489 2.2489 1.0828 2.2489
C3 1.5303 1.5303 2.2489 2.2489 1.0828 2.2489 2.2489 1.0828
H4 1.0828 2.2489 2.2489 2.5387 2.5387 1.8259 3.1271 3.1271
H5 2.2489 1.0828 2.2489 2.5387 2.5387 3.1271 1.8259 3.1271
H6 2.2489 2.2489 1.0828 2.5387 2.5387 3.1271 3.1271 1.8259
H7 1.0828 2.2489 2.2489 1.8259 3.1271 3.1271 2.5387 2.5387
H8 2.2489 1.0828 2.2489 3.1271 1.8259 3.1271 2.5387 2.5387
H9 2.2489 2.2489 1.0828 3.1271 3.1271 1.8259 2.5387 2.5387
Maximum atom distance is 3.1271Å 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 117.751 C1 C2 H8 117.751
C1 C3 H6 117.751 C1 C3 H9 117.751
C2 C1 H4 117.751 C2 C1 H7 117.751
C2 C3 H6 117.751 C2 C3 H9 117.751
C3 C1 H4 117.751 C3 C1 H7 117.751
C3 C2 H5 117.751 C3 C2 H8 117.751
H4 C1 H7 114.950 H5 C2 H8 114.950
H6 C3 H9 114.950

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