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Geometry for BH3CO (Borane carbonyl) 1A1 C3V

1910171554
InChI=1S/CH3BO/c2-1-3/h2H3 INChIKey=ZJUVLBOEAXFSHP-UHFFFAOYSA-N

B1B95/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3598   -1.3598 0.0000 0.0000
C2 0.0000 0.0000 0.1661   0.1661 0.0000 0.0000
O3 0.0000 0.0000 1.3505   1.3505 0.0000 0.0000
H4 0.0000 1.1363 -1.6671   -1.6671 1.0445 -0.4476
H5 0.9841 -0.5682 -1.6671   -1.6671 -0.1346 1.1283
H6 -0.9841 -0.5682 -1.6671   -1.6671 -0.9099 -0.6807
Atom - Atom Distances (Å)
  B1 C2 O3 H4 H5 H6
B1 1.5258 2.7102 1.1772 1.1772 1.1772
C2 1.5258 1.1844 2.1568 2.1568 2.1568
O3 2.7102 1.1844 3.2244 3.2244 3.2244
H4 1.1772 2.1568 3.2244 1.9682 1.9682
H5 1.1772 2.1568 3.2244 1.9682 1.9682
H6 1.1772 2.1568 3.2244 1.9682 1.9682
Maximum atom distance is 3.2244Å between atoms O3 and H5.
picture of Borane carbonyl
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 C2 O3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 B1 H4 105.135 C2 B1 H5 105.135
C2 B1 H6 105.135 H4 B1 H5 113.437
H4 B1 H6 113.437 H5 B1 H6 113.437

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