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

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

HF/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.2919   -1.2919 0.0000 -0.0000
B2 0.0000 0.0000 0.2503   0.2503 0.0000 0.0000
O3 0.0000 0.0000 1.4375   1.4375 0.0000 0.0000
H4 0.0000 1.0157 -1.6669   -1.6669 -1.0157 -0.0000
H5 0.8796 -0.5078 -1.6669   -1.6669 0.5078 -0.8796
H6 -0.8796 -0.5078 -1.6669   -1.6669 0.5078 0.8796
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.5422 2.7294 1.0827 1.0827 1.0827
B2 1.5422 1.1872 2.1696 2.1696 2.1696
O3 2.7294 1.1872 3.2663 3.2663 3.2663
H4 1.0827 2.1696 3.2663 1.7592 1.7592
H5 1.0827 2.1696 3.2663 1.7592 1.7592
H6 1.0827 2.1696 3.2663 1.7592 1.7592
Maximum atom distance is 3.2663Å 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 110.263 B2 C1 H5 110.263
B2 C1 H6 110.263 H4 C1 H5 108.668
H4 C1 H6 108.668 H5 C1 H6 108.668

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