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Geometry for BH2NH2 (Boranamine) 1A1 C2V

1910171554
InChI=1S/BH4N/c1-2/h1-2H2 INChIKey=KKAXNAVSOBXHTE-UHFFFAOYSA-N

B2PLYP=FULL/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.7774   -0.7774 0.0000 0.0000
N2 0.0000 0.0000 0.6112   0.6112 0.0000 0.0000
H3 0.0000 1.0449 -1.3560   -1.3560 1.0449 0.0000
H4 0.0000 -1.0449 -1.3560   -1.3560 -1.0449 0.0000
H5 0.0000 0.8429 1.1604   1.1604 0.8429 0.0000
H6 0.0000 -0.8429 1.1604   1.1604 -0.8429 0.0000
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6
B1 1.3886 1.1943 1.1943 2.1133 2.1133
N2 1.3886 2.2274 2.2274 1.0061 1.0061
H3 1.1943 2.2274 2.0897 2.5245 3.1458
H4 1.1943 2.2274 2.0897 3.1458 2.5245
H5 2.1133 1.0061 2.5245 3.1458 1.6858
H6 2.1133 1.0061 3.1458 2.5245 1.6858
Maximum atom distance is 3.1458Å between atoms H3 and H6.
picture of Boranamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 N2 H5 123.090 B1 N2 H6 123.090
N2 B1 H3 118.974 N2 B1 H4 118.974
H3 B1 H4 122.053 H5 N2 H6 113.820

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