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

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

LSDA/TZVP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.2810   -1.2810 0.0000 0.0000
B2 0.0000 0.0000 0.2328   0.2328 0.0000 0.0000
O3 0.0000 0.0000 1.4421   1.4421 0.0000 0.0000
H4 0.0000 1.0278 -1.6716   -1.6716 1.0278 0.0000
H5 0.8901 -0.5139 -1.6716   -1.6716 -0.5139 0.8901
H6 -0.8901 -0.5139 -1.6716   -1.6716 -0.5139 -0.8901
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.5138 2.7231 1.0995 1.0995 1.0995
B2 1.5138 1.2092 2.1641 2.1641 2.1641
O3 2.7231 1.2092 3.2789 3.2789 3.2789
H4 1.0995 2.1641 3.2789 1.7802 1.7802
H5 1.0995 2.1641 3.2789 1.7802 1.7802
H6 1.0995 2.1641 3.2789 1.7802 1.7802
Maximum atom distance is 3.2789Å 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 110.808 B2 C1 H5 110.808
B2 C1 H6 110.808 H4 C1 H5 108.102
H4 C1 H6 108.102 H5 C1 H6 108.102

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