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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

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


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1269 0.3820 -0.0032   0.0217 -0.4020 -0.0032
N2 1.1290 -0.1430 -0.0614   -1.0513 0.4356 -0.0614
N3 -1.1587 -0.3268 0.0123   1.2039 0.0098 0.0123
H4 -0.1382 1.4653 -0.0054   -0.2530 -1.4499 -0.0054
H5 1.8855 0.4170 0.2481   -1.9287 0.0948 0.2481
H6 1.2088 -1.1183 0.1105   -0.8712 1.3974 0.1105
H7 -1.9861 0.2326 0.0096   1.8546 -0.7480 0.0096
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3624 1.2520 1.0833 2.0283 2.0120 1.8653
N2 1.3624 2.2963 2.0482 0.9908 0.9936 3.1385
N3 1.2520 2.2963 2.0624 3.1426 2.4982 0.9988
H4 1.0833 2.0482 2.0624 2.2931 2.9159 2.2214
H5 2.0283 0.9908 3.1426 2.2931 1.6834 3.8833
H6 2.0120 0.9936 2.4982 2.9159 1.6834 3.4702
H7 1.8653 3.1385 0.9988 2.2214 3.8833 3.4702
Maximum atom distance is 3.8833Å 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 122.822
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 118.207 C1 N2 H6 116.418
C1 N3 H7 111.443 N2 C1 H4 113.256
N3 C1 H4 123.892 H5 N2 H6 116.066

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