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Geometry for CH2BH (methyleneborane) 1A1 C2V

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

B1B95/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5885   0.5885 0.0000 0.0000
B2 0.0000 0.0000 -0.7834   -0.7834 0.0000 0.0000
H3 0.0000 0.9154 1.1699   1.1699 0.9154 0.0000
H4 0.0000 -0.9154 1.1699   1.1699 -0.9154 0.0000
H5 0.0000 0.0000 -1.9542   -1.9542 0.0000 0.0000
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5
C1 1.3719 1.0845 1.0845 2.5427
B2 1.3719 2.1572 2.1572 1.1708
H3 1.0845 2.1572 1.8309 3.2555
H4 1.0845 2.1572 1.8309 3.2555
H5 2.5427 1.1708 3.2555 3.2555
Maximum atom distance is 3.2555Å 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 122.421
B2 C1 H4 122.421 H4 C1 H3 115.159

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