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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B2PLYP/6-31G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8692 0.0000   -0.5047 0.7077 0.0000
C2 0.7528 -0.4346 0.0000   0.8652 0.0832 0.0000
C3 -0.7528 -0.4346 0.0000   -0.3606 -0.7909 0.0000
H4 0.0000 1.4574 0.9088   -0.8462 1.1866 0.9088
H5 1.2622 -0.7287 0.9088   1.4507 0.1395 0.9088
H6 -1.2622 -0.7287 0.9088   -0.6046 -1.3261 0.9088
H7 0.0000 1.4574 -0.9088   -0.8462 1.1866 -0.9088
H8 1.2622 -0.7287 -0.9088   1.4507 0.1395 -0.9088
H9 -1.2622 -0.7287 -0.9088   -0.6046 -1.3261 -0.9088
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5055 1.5055 1.0826 2.2299 2.2299 1.0826 2.2299 2.2299
C2 1.5055 1.5055 2.2299 1.0826 2.2299 2.2299 1.0826 2.2299
C3 1.5055 1.5055 2.2299 2.2299 1.0826 2.2299 2.2299 1.0826
H4 1.0826 2.2299 2.2299 2.5243 2.5243 1.8177 3.1107 3.1107
H5 2.2299 1.0826 2.2299 2.5243 2.5243 3.1107 1.8177 3.1107
H6 2.2299 2.2299 1.0826 2.5243 2.5243 3.1107 3.1107 1.8177
H7 1.0826 2.2299 2.2299 1.8177 3.1107 3.1107 2.5243 2.5243
H8 2.2299 1.0826 2.2299 3.1107 1.8177 3.1107 2.5243 2.5243
H9 2.2299 2.2299 1.0826 3.1107 3.1107 1.8177 2.5243 2.5243
Maximum atom distance is 3.1107Å 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 118.070 C1 C2 H8 118.070
C1 C3 H6 118.070 C1 C3 H9 118.070
C2 C1 H4 118.070 C2 C1 H7 118.070
C2 C3 H6 118.070 C2 C3 H9 118.070
C3 C1 H4 118.070 C3 C1 H7 118.070
C3 C2 H5 118.070 C3 C2 H8 118.070
H4 C1 H7 114.176 H5 C2 H8 114.176
H6 C3 H9 114.176

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