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

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

CISD/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.2973   -1.2973 0.0000 0.0000
B2 0.0000 0.0000 0.2435   0.2435 0.0000 0.0000
O3 0.0000 0.0000 1.4501   1.4501 0.0000 0.0000
H4 0.0000 1.0212 -1.6783   -1.6783 0.3586 0.9562
H5 0.8844 -0.5106 -1.6783   -1.6783 0.6488 -0.7886
H6 -0.8844 -0.5106 -1.6783   -1.6783 -1.0074 -0.1676
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.5408 2.7474 1.0900 1.0900 1.0900
B2 1.5408 1.2066 2.1763 2.1763 2.1763
O3 2.7474 1.2066 3.2909 3.2909 3.2909
H4 1.0900 2.1763 3.2909 1.7688 1.7688
H5 1.0900 2.1763 3.2909 1.7688 1.7688
H6 1.0900 2.1763 3.2909 1.7688 1.7688
Maximum atom distance is 3.2909Å 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 110.461 B2 C1 H5 110.461
B2 C1 H6 110.461 H4 C1 H5 108.464
H4 C1 H6 108.464 H5 C1 H6 108.464

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