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

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

PBEPBEultrafine/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 -1.3015   -1.3015 0.0000 0.0000
B2 0.0000 0.0000 0.2390   0.2390 0.0000 0.0000
O3 0.0000 0.0000 1.4609   1.4609 0.0000 0.0000
H4 0.0000 1.0315 -1.6910   -1.6910 0.8836 -0.5321
H5 0.8933 -0.5157 -1.6910   -1.6910 0.0190 1.0313
H6 -0.8933 -0.5157 -1.6910   -1.6910 -0.9026 -0.4992
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.5405 2.7624 1.1025 1.1025 1.1025
B2 1.5405 1.2219 2.1883 2.1883 2.1883
O3 2.7624 1.2219 3.3163 3.3163 3.3163
H4 1.1025 2.1883 3.3163 1.7866 1.7866
H5 1.1025 2.1883 3.3163 1.7866 1.7866
H6 1.1025 2.1883 3.3163 1.7866 1.7866
Maximum atom distance is 3.3163Å 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 110.684 B2 C1 H5 110.684
B2 C1 H6 110.684 H4 C1 H5 108.232
H4 C1 H6 108.232 H5 C1 H6 108.232

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