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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

BLYP/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4241 0.0000   0.0136 0.4238 -0.0004
N2 -1.0469 -0.4811 0.0000   1.0308 -0.5144 0.0169
N3 1.2350 0.0265 0.0000   -1.2334 0.0660 -0.0195
H4 -0.3696 1.4670 0.0000   0.4162 1.4544 0.0046
H5 -2.0194 -0.1803 0.0000   2.0123 -0.2447 0.0319
H6 -0.8253 -1.4791 0.0000   0.7775 -1.5047 0.0142
H7 1.8971 0.8306 0.0000   -1.8694 0.8908 -0.0306
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3839 1.2974 1.1065 2.1078 2.0744 1.9402
N2 1.3839 2.3376 2.0625 1.0180 1.0223 3.2230
N3 1.2974 2.3376 2.1563 3.2609 2.5518 1.0416
H4 1.1065 2.0625 2.1563 2.3314 2.9811 2.3543
H5 2.1078 1.0180 3.2609 2.3314 1.7643 4.0448
H6 2.0744 1.0223 2.5518 2.9811 1.7643 3.5702
H7 1.9402 3.2230 1.0416 2.3543 4.0448 3.5702
Maximum atom distance is 4.0448Å 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 121.307
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 121.961 C1 N2 H6 118.332
C1 N3 H7 111.627 N2 C1 H4 111.338
N3 C1 H4 127.355 H5 N2 H6 119.707

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