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Geometry for (Methylenecyclopropane) 1A1 C2V

1910171554
InChI=1S/C4H6/c1-4-2-3-4/h1-3H2 INChIKey=XSGHLZBESSREDT-UHFFFAOYSA-N

B1B95/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.6344   1.6344 0.0000 0.0000
C2 0.0000 0.0000 0.3163   0.3163 0.0000 0.0000
H3 0.0000 0.9259 2.2006   2.2006 0.9259 0.0000
H4 0.0000 -0.9259 2.2006   2.2006 -0.9259 0.0000
C5 0.0000 0.7633 -0.9306   -0.9306 0.7633 0.0000
C6 0.0000 -0.7633 -0.9306   -0.9306 -0.7633 0.0000
H7 0.9110 1.2713 -1.2345   -1.2345 1.2713 0.9110
H8 -0.9110 1.2713 -1.2345   -1.2345 1.2713 -0.9110
H9 -0.9110 -1.2713 -1.2345   -1.2345 -1.2713 -0.9110
H10 0.9110 -1.2713 -1.2345   -1.2345 -1.2713 0.9110
Atom - Atom Distances (Å)
  C1 C2 H3 H4 C5 C6 H7 H8 H9 H10
C1 1.3182 1.0853 1.0853 2.6762 2.6762 3.2676 3.2676 3.2676 3.2676
C2 1.3182 2.0995 2.0995 1.4619 1.4619 2.2025 2.2025 2.2025 2.2025
H3 1.0853 2.0995 1.8518 3.1354 3.5578 3.5706 3.5706 4.1783 4.1783
H4 1.0853 2.0995 1.8518 3.5578 3.1354 4.1783 4.1783 3.5706 3.5706
C5 2.6762 1.4619 3.1354 3.5578 1.5265 1.0864 1.0864 2.2498 2.2498
C6 2.6762 1.4619 3.5578 3.1354 1.5265 2.2498 2.2498 1.0864 1.0864
H7 3.2676 2.2025 3.5706 4.1783 1.0864 2.2498 1.8219 3.1279 2.5426
H8 3.2676 2.2025 3.5706 4.1783 1.0864 2.2498 1.8219 2.5426 3.1279
H9 3.2676 2.2025 4.1783 3.5706 2.2498 1.0864 3.1279 2.5426 1.8219
H10 3.2676 2.2025 4.1783 3.5706 2.2498 1.0864 2.5426 3.1279 1.8219
Maximum atom distance is 4.1783Å between atoms H3 and H9.
picture of Methylenecyclopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C5 148.528 C1 C2 C6 148.528
C2 C5 C6 58.528 C2 C6 C5 58.528
C5 C2 C6 62.944
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 121.445 C2 C1 H4 121.445
C2 C5 H7 118.865 C2 C5 H8 118.865
C2 C6 H9 118.865 C2 C6 H10 118.865
H3 C1 H4 117.110 C5 C6 H9 117.880
C5 C6 H10 117.880 C6 C5 H7 117.880
C6 C5 H8 117.880 H7 C5 H8 113.961
H9 C6 H10 113.961

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