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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/TZVP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8680 0.0000   0.8680 0.0000 0.0000
C2 0.7517 -0.4340 0.0000   -0.4340 0.7517 0.0000
C3 -0.7517 -0.4340 0.0000   -0.4340 -0.7517 0.0000
H4 0.0000 1.4483 0.9111   1.4483 0.0000 0.9111
H5 1.2542 -0.7241 0.9111   -0.7241 1.2542 0.9111
H6 -1.2542 -0.7241 0.9111   -0.7241 -1.2542 0.9111
H7 0.0000 1.4483 -0.9111   1.4483 0.0000 -0.9111
H8 1.2542 -0.7241 -0.9111   -0.7241 1.2542 -0.9111
H9 -1.2542 -0.7241 -0.9111   -0.7241 -1.2542 -0.9111
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5034 1.5034 1.0802 2.2222 2.2222 1.0802 2.2222 2.2222
C2 1.5034 1.5034 2.2222 1.0802 2.2222 2.2222 1.0802 2.2222
C3 1.5034 1.5034 2.2222 2.2222 1.0802 2.2222 2.2222 1.0802
H4 1.0802 2.2222 2.2222 2.5085 2.5085 1.8221 3.1004 3.1004
H5 2.2222 1.0802 2.2222 2.5085 2.5085 3.1004 1.8221 3.1004
H6 2.2222 2.2222 1.0802 2.5085 2.5085 3.1004 3.1004 1.8221
H7 1.0802 2.2222 2.2222 1.8221 3.1004 3.1004 2.5085 2.5085
H8 2.2222 1.0802 2.2222 3.1004 1.8221 3.1004 2.5085 2.5085
H9 2.2222 2.2222 1.0802 3.1004 3.1004 1.8221 2.5085 2.5085
Maximum atom distance is 3.1004Å 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 117.727 C1 C2 H8 117.727
C1 C3 H6 117.727 C1 C3 H9 117.727
C2 C1 H4 117.727 C2 C1 H7 117.727
C2 C3 H6 117.727 C2 C3 H9 117.727
C3 C1 H4 117.727 C3 C1 H7 117.727
C3 C2 H5 117.727 C3 C2 H8 117.727
H4 C1 H7 115.010 H5 C2 H8 115.010
H6 C3 H9 115.010

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