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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP3=FULL/6-31+G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8683 0.0000   0.8110 0.3102 0.0000
C2 0.7520 -0.4342 0.0000   -0.6741 0.5473 0.0000
C3 -0.7520 -0.4342 0.0000   -0.1369 -0.8575 0.0000
H4 0.0000 1.4542 0.9063   1.3583 0.5194 0.9063
H5 1.2594 -0.7271 0.9063   -1.1290 0.9166 0.9063
H6 -1.2594 -0.7271 0.9063   -0.2293 -1.4360 0.9063
H7 0.0000 1.4542 -0.9063   1.3583 0.5194 -0.9063
H8 1.2594 -0.7271 -0.9063   -1.1290 0.9166 -0.9063
H9 -1.2594 -0.7271 -0.9063   -0.2293 -1.4360 -0.9063
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5040 1.5040 1.0792 2.2255 2.2255 1.0792 2.2255 2.2255
C2 1.5040 1.5040 2.2255 1.0792 2.2255 2.2255 1.0792 2.2255
C3 1.5040 1.5040 2.2255 2.2255 1.0792 2.2255 2.2255 1.0792
H4 1.0792 2.2255 2.2255 2.5188 2.5188 1.8125 3.1032 3.1032
H5 2.2255 1.0792 2.2255 2.5188 2.5188 3.1032 1.8125 3.1032
H6 2.2255 2.2255 1.0792 2.5188 2.5188 3.1032 3.1032 1.8125
H7 1.0792 2.2255 2.2255 1.8125 3.1032 3.1032 2.5188 2.5188
H8 2.2255 1.0792 2.2255 3.1032 1.8125 3.1032 2.5188 2.5188
H9 2.2255 2.2255 1.0792 3.1032 3.1032 1.8125 2.5188 2.5188
Maximum atom distance is 3.1032Å 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 118.047 C1 C2 H8 118.047
C1 C3 H6 118.047 C1 C3 H9 118.047
C2 C1 H4 118.047 C2 C1 H7 118.047
C2 C3 H6 118.047 C2 C3 H9 118.047
C3 C1 H4 118.047 C3 C1 H7 118.047
C3 C2 H5 118.047 C3 C2 H8 118.047
H4 C1 H7 114.233 H5 C2 H8 114.233
H6 C3 H9 114.233

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