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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

MP2=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1209 0.4013 -0.0022   -0.1078 0.4049 -0.0068
N2 1.1408 -0.1477 -0.0814   1.1367 -0.1848 -0.0604
N3 -1.1706 -0.3369 0.0192   -1.1810 -0.2990 0.0007
H4 -0.1135 1.4971 -0.0183   -0.0648 1.4999 -0.0296
H5 1.8913 0.3757 0.3490   1.8961 0.3171 0.3800
H6 1.1599 -1.1417 0.1198   1.1203 -1.1775 0.1473
H7 -2.0040 0.2528 -0.0023   -1.9944 0.3170 -0.0391
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3782 1.2834 1.0960 2.0428 2.0090 1.8889
N2 1.3782 2.3213 2.0694 1.0112 1.0144 3.1712
N3 1.2834 2.3213 2.1172 3.1610 2.4676 1.0211
H4 1.0960 2.0694 2.1172 2.3263 2.9333 2.2633
H5 2.0428 1.0112 3.1610 2.3263 1.7000 3.9130
H6 2.0090 1.0144 2.4676 2.9333 1.7000 3.4597
H7 1.8889 3.1712 1.0211 2.2633 3.9130 3.4597
Maximum atom distance is 3.9130Å 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 121.374
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 116.671 C1 N2 H6 113.338
C1 N3 H7 109.573 N2 C1 H4 113.028
N3 C1 H4 125.510 H5 N2 H6 114.129

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