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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

HF/STO-3G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8673 0.0000   -0.1399 0.8560 0.0000
C2 0.7511 -0.4337 0.0000   0.8113 -0.3068 0.0000
C3 -0.7511 -0.4337 0.0000   -0.6713 -0.5492 0.0000
H4 0.0000 1.4574 0.9054   -0.2351 1.4383 0.9054
H5 1.2621 -0.7287 0.9054   1.3631 -0.5155 0.9054
H6 -1.2621 -0.7287 0.9054   -1.1280 -0.9228 0.9054
H7 0.0000 1.4574 -0.9054   -0.2351 1.4383 -0.9054
H8 1.2621 -0.7287 -0.9054   1.3631 -0.5155 -0.9054
H9 -1.2621 -0.7287 -0.9054   -1.1280 -0.9228 -0.9054
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5023 1.5023 1.0807 2.2271 2.2271 1.0807 2.2271 2.2271
C2 1.5023 1.5023 2.2271 1.0807 2.2271 2.2271 1.0807 2.2271
C3 1.5023 1.5023 2.2271 2.2271 1.0807 2.2271 2.2271 1.0807
H4 1.0807 2.2271 2.2271 2.5242 2.5242 1.8108 3.1066 3.1066
H5 2.2271 1.0807 2.2271 2.5242 2.5242 3.1066 1.8108 3.1066
H6 2.2271 2.2271 1.0807 2.5242 2.5242 3.1066 3.1066 1.8108
H7 1.0807 2.2271 2.2271 1.8108 3.1066 3.1066 2.5242 2.5242
H8 2.2271 1.0807 2.2271 3.1066 1.8108 3.1066 2.5242 2.5242
H9 2.2271 2.2271 1.0807 3.1066 3.1066 1.8108 2.5242 2.5242
Maximum atom distance is 3.1066Å 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 118.217 C1 C2 H8 118.217
C1 C3 H6 118.217 C1 C3 H9 118.217
C2 C1 H4 118.217 C2 C1 H7 118.217
C2 C3 H6 118.217 C2 C3 H9 118.217
C3 C1 H4 118.217 C3 C1 H7 118.217
C3 C2 H5 118.217 C3 C2 H8 118.217
H4 C1 H7 113.821 H5 C2 H8 113.821
H6 C3 H9 113.821

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