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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

CID/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4179 0.0000   0.0135 0.4177 -0.0002
N2 -1.0399 -0.4854 0.0000   1.0234 -0.5188 0.0179
N3 1.2232 0.0391 0.0000   -1.2211 0.0787 -0.0209
H4 -0.3465 1.4551 0.0000   0.3934 1.4431 0.0053
H5 -2.0000 -0.1924 0.0000   1.9924 -0.2570 0.0342
H6 -0.8201 -1.4684 0.0000   0.7720 -1.4942 0.0146
H7 1.8833 0.8222 0.0000   -1.8554 0.8828 -0.0325
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3774 1.2805 1.0935 2.0910 2.0569 1.9262
N2 1.3774 2.3231 2.0606 1.0038 1.0073 3.2023
N3 1.2805 2.3231 2.1139 3.2315 2.5392 1.0242
H4 1.0935 2.0606 2.1139 2.3341 2.9616 2.3178
H5 2.0910 1.0038 3.2315 2.3341 1.7379 4.0136
H6 2.0569 1.0073 2.5392 2.9616 1.7379 3.5434
H7 1.9262 3.2023 1.0242 2.3178 4.0136 3.5434
Maximum atom distance is 4.0136Å 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 121.816
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 122.049 C1 N2 H6 118.377
C1 N3 H7 112.921 N2 C1 H4 112.507
N3 C1 H4 125.677 H5 N2 H6 119.574

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