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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

B3PW91/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1227 0.3913 -0.0016   0.0210 -0.4095 -0.0016
N2 1.1345 -0.1475 -0.0683   -1.0616 0.4264 -0.0683
N3 -1.1703 -0.3321 0.0148   1.2162 0.0291 0.0148
H4 -0.1077 1.4899 -0.0083   -0.2681 -1.4695 -0.0083
H5 1.9022 0.4026 0.2761   -1.9425 0.0856 0.2761
H6 1.1915 -1.1379 0.1156   -0.8692 1.3996 0.1156
H7 -1.9994 0.2555 0.0007   1.8720 -0.7472 0.0007
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3695 1.2732 1.0987 2.0440 2.0197 1.8815
N2 1.3695 2.3137 2.0561 1.0053 1.0089 3.1605
N3 1.2732 2.3137 2.1094 3.1699 2.4975 1.0163
H4 1.0987 2.0561 2.1094 2.3028 2.9340 2.2588
H5 2.0440 1.0053 3.1699 2.3028 1.7042 3.9141
H6 2.0197 1.0089 2.4975 2.9340 1.7042 3.4837
H7 1.8815 3.1605 1.0163 2.2588 3.9141 3.4837
Maximum atom distance is 3.9141Å 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 122.171
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 117.973 C1 N2 H6 115.413
C1 N3 H7 110.027 N2 C1 H4 112.365
N3 C1 H4 125.415 H5 N2 H6 115.572

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