return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for SiH3NH2 (Silane, amino) 1A' CS

1910171554
InChI=1S/H5NSi/c1-2/h1H2,2H3 INChIKey=

B3LYP/aug-cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 -0.0171 -0.5770 0.0000   0.0004 -0.0171 -0.5770
N2 -0.0171 1.1490 0.0000   0.0004 -0.0171 1.1490
H3 1.3249 -1.2205 0.0000   -0.0288 1.3246 -1.2205
H4 -0.7269 -1.0312 1.2168   1.2323 -0.7003 -1.0312
H5 -0.7269 -1.0312 -1.2168   -1.2007 -0.7532 -1.0312
H6 0.2438 1.6592 -0.8279   -0.8330 0.2258 1.6592
H7 0.2438 1.6592 0.8279   0.8224 0.2618 1.6592
Atom - Atom Distances (Å)
  Si1 N2 H3 H4 H5 H6 H7
Si1 1.7260 1.4883 1.4801 1.4801 2.3987 2.3987
N2 1.7260 2.7231 2.5957 2.5957 1.0068 1.0068
H3 1.4883 2.7231 2.3930 2.3930 3.1853 3.1853
H4 1.4801 2.5957 2.3930 2.4335 3.5158 2.8865
H5 1.4801 2.5957 2.3930 2.4335 2.8865 3.5158
H6 2.3987 1.0068 3.1853 3.5158 2.8865 1.6558
H7 2.3987 1.0068 3.1853 2.8865 3.5158 1.6558
Maximum atom distance is 3.5158Å between atoms H4 and H6.
picture of Silane, amino
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
Si1 N2 H6 120.445 Si1 N2 H7 120.445
N2 Si1 H3 115.617 N2 Si1 H4 107.871
N2 Si1 H5 107.871 H3 Si1 H4 107.444
H3 Si1 H5 107.444 H4 Si1 H5 110.587
H6 N2 H7 110.622

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