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Geometry for CH3BO (Borane, methyloxo-) 1A1 C3V

1910171554
InChI=1S/CH3BO/c1-2-3/h1H3 INChIKey=UYVGUZKUXWFNRX-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.2908   -1.2908 0.0000 0.0000
B2 0.0000 0.0000 0.2501   0.2501 0.0000 0.0000
O3 0.0000 0.0000 1.4366   1.4366 0.0000 0.0000
H4 0.0000 1.0157 -1.6663   -1.6663 -0.2423 0.9864
H5 0.8796 -0.5079 -1.6663   -1.6663 0.9754 -0.2834
H6 -0.8796 -0.5079 -1.6663   -1.6663 -0.7331 -0.7030
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.5409 2.7273 1.0829 1.0829 1.0829
B2 1.5409 1.1865 2.1689 2.1689 2.1689
O3 2.7273 1.1865 3.2649 3.2649 3.2649
H4 1.0829 2.1689 3.2649 1.7593 1.7593
H5 1.0829 2.1689 3.2649 1.7593 1.7593
H6 1.0829 2.1689 3.2649 1.7593 1.7593
Maximum atom distance is 3.2649Å between atoms O3 and H4.
picture of Borane, methyloxo-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 B2 O3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B2 C1 H4 110.289 B2 C1 H5 110.289
B2 C1 H6 110.289 H4 C1 H5 108.641
H4 C1 H6 108.641 H5 C1 H6 108.641

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