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Geometry for CH2BH (methyleneborane) 1A1 C2V

1910171554
InChI=1S/CH3B/c1-2/h2H,1H2 INChIKey=DJWFTFKVJARRDX-UHFFFAOYSA-N

HF/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5963   0.5963 0.0000 0.0000
B2 0.0000 0.0000 -0.7940   -0.7940 0.0000 0.0000
H3 0.0000 0.9084 1.1745   1.1745 0.9084 0.0000
H4 0.0000 -0.9084 1.1745   1.1745 -0.9084 0.0000
H5 0.0000 0.0000 -1.9571   -1.9571 0.0000 0.0000
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5
C1 1.3903 1.0768 1.0768 2.5534
B2 1.3903 2.1680 2.1680 1.1631
H3 1.0768 2.1680 1.8169 3.2607
H4 1.0768 2.1680 1.8169 3.2607
H5 2.5534 1.1631 3.2607 3.2607
Maximum atom distance is 3.2607Å between atoms H3 and H5.
picture of methyleneborane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 B2 H5 180.000 B2 C1 H3 122.476
B2 C1 H4 122.476 H4 C1 H3 115.048

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