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

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

mPW1PW91/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.2902   -1.2902 0.0000 0.0000
B2 0.0000 0.0000 0.2377   0.2377 0.0000 0.0000
O3 0.0000 0.0000 1.4463   1.4463 0.0000 0.0000
H4 0.0000 1.0275 -1.6727   -1.6727 0.8935 -0.5073
H5 0.8898 -0.5137 -1.6727   -1.6727 -0.0074 1.0274
H6 -0.8898 -0.5137 -1.6727   -1.6727 -0.8861 -0.5202
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.5279 2.7364 1.0964 1.0964 1.0964
B2 1.5279 1.2086 2.1692 2.1692 2.1692
O3 2.7364 1.2086 3.2838 3.2838 3.2838
H4 1.0964 2.1692 3.2838 1.7796 1.7796
H5 1.0964 2.1692 3.2838 1.7796 1.7796
H6 1.0964 2.1692 3.2838 1.7796 1.7796
Maximum atom distance is 3.2838Å between atoms O3 and H5.
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 110.419 B2 C1 H5 110.419
B2 C1 H6 110.419 H4 C1 H5 108.507
H4 C1 H6 108.507 H5 C1 H6 108.507

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