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Geometry for CHNH2 (aminomethylene) 1A' CS

1910171554
InChI=1S/CH3N/c1-2/h1H,2H2 INChIKey=

B3LYPultrafine/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0625 0.7839 0.0000   0.7864 -0.0060 0.0000
N2 0.0625 -0.5222 0.0000   -0.5148 0.1077 0.0000
H3 -0.9956 1.1019 0.0000   1.0111 -1.0878 0.0000
H4 -0.7589 -1.1266 0.0000   -1.1884 -0.6579 0.0000
H5 0.9417 -1.0233 0.0000   -0.9375 1.0272 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.3061 1.1049 2.0796 2.0098
N2 1.3061 1.9384 1.0198 1.0120
H3 1.1049 1.9384 2.2411 2.8758
H4 2.0796 1.0198 2.2411 1.7037
H5 2.0098 1.0120 2.8758 1.7037
Maximum atom distance is 2.8758Å between atoms H3 and H5.
picture of aminomethylene
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
C1 N2 H4 126.347 C1 N2 H5 119.682
N2 C1 H3 106.727 H4 N2 H5 113.971

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