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Geometry for C3H4 (cyclopropene) 1A1 C2v

1910171554
InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2 INChIKey=OOXWYYGXTJLWHA-UHFFFAOYSA-N

HF/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8553   0.8553 0.0000 0.0000
C2 0.0000 0.6359 -0.4973   -0.4973 0.6359 0.0000
C3 0.0000 -0.6359 -0.4973   -0.4973 -0.6359 0.0000
H4 0.0000 1.5579 -1.0308   -1.0308 1.5579 0.0000
H5 0.0000 -1.5579 -1.0308   -1.0308 -1.5579 0.0000
H6 0.9027 0.0000 1.4486   1.4486 0.0000 0.9027
H7 -0.9027 0.0000 1.4486   1.4486 0.0000 -0.9027
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.4945 1.4945 2.4463 2.4463 1.0803 1.0803
C2 1.4945 1.2718 1.0653 2.2577 2.2373 2.2373
C3 1.4945 1.2718 2.2577 1.0653 2.2373 2.2373
H4 2.4463 1.0653 2.2577 3.1158 3.0642 3.0642
H5 2.4463 2.2577 1.0653 3.1158 3.0642 3.0642
H6 1.0803 2.2373 2.2373 3.0642 3.0642 1.8055
H7 1.0803 2.2373 2.2373 3.0642 3.0642 1.8055
Maximum atom distance is 3.1158Å between atoms H4 and H5.
picture of cyclopropene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 64.819 C1 C3 C2 64.819
C2 C1 C3 50.362
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.238 C1 C3 H5 145.238
C2 C1 H6 119.805 C2 C1 H7 119.805
C2 C3 H5 149.943 C3 C1 H6 119.805
C3 C1 H7 119.805 C3 C2 H4 149.943
H6 C1 H7 113.369

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