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Geometry for NHCHNH2 (aminomethanimine) 1A C1

1910171554
InChI=1S/CH4N2/c2-1-3/h1H,(H3,2,3) INChIKey=PNKUSGQVOMIXLU-UHFFFAOYSA-N

mPW1PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4162 0.0000   0.0134 0.4160 -0.0002
N2 -1.0370 -0.4737 0.0000   1.0212 -0.5068 0.0154
N3 1.2202 0.0274 0.0000   -1.2186 0.0666 -0.0178
H4 -0.3509 1.4545 0.0000   0.3975 1.4424 0.0044
H5 -1.9989 -0.1756 0.0000   1.9920 -0.2398 0.0293
H6 -0.8183 -1.4610 0.0000   0.7707 -1.4865 0.0127
H7 1.8858 0.8092 0.0000   -1.8585 0.8694 -0.0279
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3665 1.2807 1.0959 2.0846 2.0478 1.9263
N2 1.3665 2.3122 2.0466 1.0070 1.0112 3.1920
N3 1.2807 2.3122 2.1225 3.2255 2.5240 1.0267
H4 1.0959 2.0466 2.1225 2.3179 2.9526 2.3279
H5 2.0846 1.0070 3.2255 2.3179 1.7453 4.0075
H6 2.0478 1.0112 2.5240 2.9526 1.7453 3.5306
H7 1.9263 3.1920 1.0267 2.3279 4.0075 3.5306
Maximum atom distance is 4.0075Å between atoms H5 and H7.
picture of aminomethanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 121.690
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 122.146 C1 N2 H6 118.139
C1 N3 H7 112.729 N2 C1 H4 111.958
N3 C1 H4 126.352 H5 N2 H6 119.715

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