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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

QCISD/3-21G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8871 0.0000   0.8326 0.3061 0.0000
C2 0.7682 -0.4435 0.0000   -0.6814 0.5680 0.0000
C3 -0.7682 -0.4435 0.0000   -0.1513 -0.8741 0.0000
H4 0.0000 1.4716 0.9161   1.3813 0.5077 0.9161
H5 1.2745 -0.7358 0.9161   -1.1303 0.9424 0.9161
H6 -1.2745 -0.7358 0.9161   -0.2509 -1.4501 0.9161
H7 0.0000 1.4716 -0.9161   1.3813 0.5077 -0.9161
H8 1.2745 -0.7358 -0.9161   -1.1303 0.9424 -0.9161
H9 -1.2745 -0.7358 -0.9161   -0.2509 -1.4501 -0.9161
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5365 1.5365 1.0867 2.2577 2.2577 1.0867 2.2577 2.2577
C2 1.5365 1.5365 2.2577 1.0867 2.2577 2.2577 1.0867 2.2577
C3 1.5365 1.5365 2.2577 2.2577 1.0867 2.2577 2.2577 1.0867
H4 1.0867 2.2577 2.2577 2.5490 2.5490 1.8323 3.1392 3.1392
H5 2.2577 1.0867 2.2577 2.5490 2.5490 3.1392 1.8323 3.1392
H6 2.2577 2.2577 1.0867 2.5490 2.5490 3.1392 3.1392 1.8323
H7 1.0867 2.2577 2.2577 1.8323 3.1392 3.1392 2.5490 2.5490
H8 2.2577 1.0867 2.2577 3.1392 1.8323 3.1392 2.5490 2.5490
H9 2.2577 2.2577 1.0867 3.1392 3.1392 1.8323 2.5490 2.5490
Maximum atom distance is 3.1392Å 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 117.764 C1 C2 H8 117.764
C1 C3 H6 117.764 C1 C3 H9 117.764
C2 C1 H4 117.764 C2 C1 H7 117.764
C2 C3 H6 117.764 C2 C3 H9 117.764
C3 C1 H4 117.764 C3 C1 H7 117.764
C3 C2 H5 117.764 C3 C2 H8 117.764
H4 C1 H7 114.919 H5 C2 H8 114.919
H6 C3 H9 114.919

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