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

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

CID/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 -1.2963   -1.2963 0.0000 0.0000
B2 0.0000 0.0000 0.2439   0.2439 0.0000 0.0000
O3 0.0000 0.0000 1.4487   1.4487 0.0000 0.0000
H4 0.0000 1.0210 -1.6771   -1.6771 0.9959 -0.2249
H5 0.8842 -0.5105 -1.6771   -1.6771 -0.3032 0.9750
H6 -0.8842 -0.5105 -1.6771   -1.6771 -0.6927 -0.7501
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.5402 2.7450 1.0897 1.0897 1.0897
B2 1.5402 1.2048 2.1755 2.1755 2.1755
O3 2.7450 1.2048 3.2883 3.2883 3.2883
H4 1.0897 2.1755 3.2883 1.7685 1.7685
H5 1.0897 2.1755 3.2883 1.7685 1.7685
H6 1.0897 2.1755 3.2883 1.7685 1.7685
Maximum atom distance is 3.2883Å 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 110.454 B2 C1 H5 110.454
B2 C1 H6 110.454 H4 C1 H5 108.471
H4 C1 H6 108.471 H5 C1 H6 108.471

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