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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

B3PW91/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1224 0.3938 -0.0024   0.1352 0.3896 -0.0006
N2 1.1372 -0.1469 -0.0727   -1.1400 -0.1099 -0.0922
N3 -1.1713 -0.3336 0.0175   1.1593 -0.3715 0.0379
H4 -0.1089 1.4928 -0.0133   0.1577 1.4885 -0.0126
H5 1.9013 0.3930 0.3055   -1.8925 0.4550 0.2724
H6 1.1826 -1.1412 0.1120   -1.2209 -1.1020 0.0925
H7 -2.0024 0.2556 -0.0029   2.0094 0.1904 0.0314
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3726 1.2766 1.0991 2.0470 2.0181 1.8851
N2 1.3726 2.3178 2.0604 1.0091 1.0124 3.1661
N3 1.2766 2.3178 2.1131 3.1704 2.4904 1.0190
H4 1.0991 2.0604 2.1131 2.3135 2.9363 2.2618
H5 2.0470 1.0091 3.1704 2.3135 1.7052 3.9183
H6 2.0181 1.0124 2.4904 2.9363 1.7052 3.4798
H7 1.8851 3.1661 1.0190 2.2618 3.9183 3.4798
Maximum atom distance is 3.9183Å 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 122.030
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 117.706 C1 N2 H6 114.751
C1 N3 H7 109.897 N2 C1 H4 112.465
N3 C1 H4 125.447 H5 N2 H6 115.034

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