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Geometry for CH7N3 (triaminomethane) 1A C3

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

B3PW91/6-31G**


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3634   0.0000 0.0000 0.3634
H2 0.0000 0.0000 1.4616   0.0000 0.0000 1.4616
N3 0.0000 1.3955 -0.0543   1.3954 -0.0177 -0.0543
N4 1.2086 -0.6978 -0.0543   -0.6824 1.2173 -0.0543
N5 -1.2086 -0.6978 -0.0543   -0.7130 -1.1996 -0.0543
H6 0.8755 1.8246 0.2384   1.8355 0.8523 0.2384
H7 1.1424 -1.6705 0.2384   -1.6558 1.1635 0.2384
H8 -2.0179 -0.1541 0.2384   -0.1797 -2.0157 0.2384
H9 -0.0131 1.4416 -1.0725   1.4414 -0.0314 -1.0725
H10 1.2550 -0.7095 -1.0725   -0.6935 1.2639 -1.0725
H11 -1.2420 -0.7322 -1.0725   -0.7479 -1.2326 -1.0725
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.0982 1.4567 1.4567 1.4567 2.0276 2.0276 2.0276 2.0348 2.0348 2.0348
H2 1.0982 2.0604 2.0604 2.0604 2.3647 2.3647 2.3647 2.9155 2.9155 2.9155
N3 1.4567 2.0604 2.4171 2.4171 1.0179 3.2850 2.5610 1.0193 2.6538 2.6657
N4 1.4567 2.0604 2.4171 2.4171 2.5610 1.0179 3.2850 2.6657 1.0193 2.6538
N5 1.4567 2.0604 2.4171 2.4171 3.2850 2.5610 1.0179 2.6538 2.6657 1.0193
H6 2.0276 2.3647 1.0179 2.5610 3.2850 3.5052 3.5052 1.6293 2.8782 3.5691
H7 2.0276 2.3647 3.2850 1.0179 2.5610 3.5052 3.5052 3.5691 1.6293 2.8782
H8 2.0276 2.3647 2.5610 3.2850 1.0179 3.5052 3.5052 2.8782 3.5691 1.6293
H9 2.0348 2.9155 1.0193 2.6657 2.6538 1.6293 3.5691 2.8782 2.4971 2.4971
H10 2.0348 2.9155 2.6538 1.0193 2.6657 2.8782 1.6293 3.5691 2.4971 2.4971
H11 2.0348 2.9155 2.6657 2.6538 1.0193 3.5691 2.8782 1.6293 2.4971 2.4971
Maximum atom distance is 3.5691Å 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 112.127 N3 C1 N5 112.127
N4 C1 N5 112.127
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 108.744 C1 N3 H9 109.255
C1 N4 H7 108.744 C1 N4 H10 109.255
C1 N5 H8 108.744 C1 N5 H11 109.255
H2 C1 N3 106.663 H2 C1 N4 106.663
H2 C1 N5 106.663 H6 N3 H9 106.213
H7 N4 H10 106.213 H8 N5 H11 106.213

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