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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

TPSSh/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1214 0.4183 -0.0022   0.1319 0.4151 -0.0007
N2 1.1473 -0.1712 -0.0143   -1.1512 -0.1421 -0.0196
N3 -1.1599 -0.3290 0.0110   1.1512 -0.3582 0.0151
H4 -0.1569 1.4821 0.0142   0.1942 1.4776 0.0184
H5 1.8976 0.4802 0.0489   -1.8851 0.5279 0.0420
H6 1.0910 -1.1676 0.0188   -1.1202 -1.1397 0.0114
H7 -2.0152 0.1968 -0.0454   2.0197 0.1458 -0.0363
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3989 1.2795 1.0645 2.0206 1.9963 1.9072
N2 1.3989 2.3127 2.1060 0.9957 0.9986 3.1839
N3 1.2795 2.3127 2.0703 3.1630 2.4021 1.0055
H4 1.0645 2.1060 2.0703 2.2860 2.9289 2.2603
H5 2.0206 0.9957 3.1630 2.2860 1.8349 3.9242
H6 1.9963 0.9986 2.4021 2.9289 1.8349 3.3932
H7 1.9072 3.1839 1.0055 2.2603 3.9242 3.3932
Maximum atom distance is 3.9242Å 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 119.344
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 114.028 C1 N2 H6 111.659
C1 N3 H7 112.610 N2 C1 H4 116.839
N3 C1 H4 123.806 H5 N2 H6 133.884

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