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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

PBEPBE/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1162 0.4062 0.0000   0.0086 -0.4224 0.0000
N2 1.1372 -0.1570 -0.0000   -1.0593 0.4423 -0.0000
N3 -1.1875 -0.3310 -0.0000   1.2327 0.0166 -0.0000
H4 -0.0854 1.5121 -0.0000   -0.3037 -1.4838 -0.0000
H5 1.9775 0.4060 0.0000   -2.0156 0.1126 0.0000
H6 1.2112 -1.1702 0.0001   -0.8720 1.4408 0.0001
H7 -2.0532 0.2312 0.0002   1.9260 -0.7480 0.0002
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3741 1.3004 1.1064 2.0937 2.0608 1.9448
N2 1.3741 2.3312 2.0690 1.0115 1.0159 3.2139
N3 1.3004 2.3312 2.1475 3.2497 2.5413 1.0322
H4 1.1064 2.0690 2.1475 2.3407 2.9793 2.3479
H5 2.0937 1.0115 3.2497 2.3407 1.7527 4.0344
H6 2.0608 1.0159 2.5413 2.9793 1.7527 3.5525
H7 1.9448 3.2139 1.0322 2.3479 4.0344 3.5525
Maximum atom distance is 4.0344Å 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 121.272
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 121.979 C1 N2 H6 118.375
C1 N3 H7 112.465 N2 C1 H4 112.603
N3 C1 H4 126.125 H5 N2 H6 119.646

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