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Geometry for CH7N3 (triaminomethane) 1A C3

1910171554
InChI=1S/CH7N3/c2-1(3)4/h1H,2-4H2 INChIKey=

CCD/aug-cc-pVDZ


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3716   0.0000 0.0000 0.3716
H2 0.0000 0.0000 1.4749   0.0000 0.0000 1.4749
N3 0.0000 1.4025 -0.0550   1.3839 -0.2279 -0.0550
N4 1.2146 -0.7013 -0.0550   -0.4946 1.3125 -0.0550
N5 -1.2146 -0.7013 -0.0550   -0.8893 -1.0845 -0.0550
H6 0.8821 1.8347 0.2267   1.9536 0.5722 0.2267
H7 1.1478 -1.6813 0.2267   -1.4724 1.4058 0.2267
H8 -2.0299 -0.1534 0.2267   -0.4812 -1.9780 0.2267
H9 -0.0273 1.4469 -1.0768   1.4233 -0.2621 -1.0768
H10 1.2668 -0.6998 -1.0768   -0.4846 1.3636 -1.0768
H11 -1.2394 -0.7471 -1.0768   -0.9386 -1.1015 -1.0768
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.1033 1.4660 1.4660 1.4660 2.0409 2.0409 2.0409 2.0475 2.0475 2.0475
H2 1.1033 2.0755 2.0755 2.0755 2.3879 2.3879 2.3879 2.9335 2.9335 2.9335
N3 1.4660 2.0755 2.4293 2.4293 1.0219 3.3025 2.5731 1.0232 2.6587 2.6836
N4 1.4660 2.0755 2.4293 2.4293 2.5731 1.0219 3.3025 2.6836 1.0232 2.6587
N5 1.4660 2.0755 2.4293 2.4293 3.3025 2.5731 1.0219 2.6587 2.6836 1.0232
H6 2.0409 2.3879 1.0219 2.5731 3.3025 3.5259 3.5259 1.6360 2.8759 3.5869
H7 2.0409 2.3879 3.3025 1.0219 2.5731 3.5259 3.5259 3.5869 1.6360 2.8759
H8 2.0409 2.3879 2.5731 3.3025 1.0219 3.5259 3.5259 2.8759 3.5869 1.6360
H9 2.0475 2.9335 1.0232 2.6836 2.6587 1.6360 3.5869 2.8759 2.5066 2.5066
H10 2.0475 2.9335 2.6587 1.0232 2.6836 2.8759 1.6360 3.5869 2.5066 2.5066
H11 2.0475 2.9335 2.6836 2.6587 1.0232 3.5869 2.8759 1.6360 2.5066 2.5066
Maximum atom distance is 3.5869Å between atoms H6 and H11.
picture of triaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C1 N4 111.901 N3 C1 N5 111.901
N4 C1 N5 111.901
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 108.927 C1 N3 H9 109.397
C1 N4 H7 108.927 C1 N4 H10 109.397
C1 N5 H8 108.927 C1 N5 H11 109.397
H2 C1 N3 106.916 H2 C1 N4 106.916
H2 C1 N5 106.916 H6 N3 H9 106.259
H7 N4 H10 106.259 H8 N5 H11 106.259

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