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Geometry for CH7N3 (triaminomethane) 1A C3

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

B3LYP/SDD


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3728   0.0000 0.0000 0.3728
H2 0.0000 0.0000 1.4689   0.0000 0.0000 1.4689
N3 0.0000 1.4068 -0.0621   1.0261 0.9623 -0.0621
N4 1.2183 -0.7034 -0.0621   -1.3465 0.4075 -0.0621
N5 -1.2183 -0.7034 -0.0621   0.3204 -1.3698 -0.0621
H6 0.8129 1.9365 0.2458   0.8564 1.9177 0.2458
H7 1.2706 -1.6723 0.2458   -2.0890 -0.2171 0.2458
H8 -2.0835 -0.2643 0.2458   1.2325 -1.7005 0.2458
H9 -0.2216 1.5455 -1.0463   1.2789 0.8956 -1.0463
H10 1.4493 -0.5809 -1.0463   -1.4151 0.6598 -1.0463
H11 -1.2277 -0.9647 -1.0463   0.1362 -1.5554 -1.0463
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.0961 1.4725 1.4725 1.4725 2.1041 2.1041 2.1041 2.1099 2.1099 2.1099
H2 1.0961 2.0792 2.0792 2.0792 2.4304 2.4304 2.4304 2.9605 2.9605 2.9605
N3 1.4725 2.0792 2.4366 2.4366 1.0180 3.3451 2.6886 1.0184 2.6495 2.8460
N4 1.4725 2.0792 2.4366 2.4366 2.6886 1.0180 3.3451 2.8460 1.0184 2.6495
N5 1.4725 2.0792 2.4366 2.4366 3.3451 2.6886 1.0180 2.6495 2.8460 1.0184
H6 2.1041 2.4304 1.0180 2.6886 3.3451 3.6377 3.6377 1.7008 2.9004 3.7750
H7 2.1041 2.4304 3.3451 1.0180 2.6886 3.6377 3.6377 3.7750 1.7008 2.9004
H8 2.1041 2.4304 2.6886 3.3451 1.0180 3.6377 3.6377 2.9004 3.7750 1.7008
H9 2.1099 2.9605 1.0184 2.8460 2.6495 1.7008 3.7750 2.9004 2.7043 2.7043
H10 2.1099 2.9605 2.6495 1.0184 2.8460 2.9004 1.7008 3.7750 2.7043 2.7043
H11 2.1099 2.9605 2.8460 2.6495 1.0184 3.7750 2.9004 1.7008 2.7043 2.7043
Maximum atom distance is 3.7750Å between atoms H8 and H10.
picture of triaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C1 N4 111.663 N3 C1 N5 111.663
N4 C1 N5 111.663
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 114.070 C1 N3 H9 114.560
C1 N4 H7 114.070 C1 N4 H10 114.560
C1 N5 H8 114.070 C1 N5 H11 114.560
H2 C1 N3 107.179 H2 C1 N4 107.179
H2 C1 N5 107.179 H6 N3 H9 113.278
H7 N4 H10 113.278 H8 N5 H11 113.278

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