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Geometry for CH7N3 (triaminomethane) 1A C3

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

PBEPBE/Def2TZVPP


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3600   -0.0000 -0.0000 0.3600
H2 0.0000 0.0000 1.4621   -0.0000 -0.0000 1.4621
N3 0.0000 1.4030 -0.0548   -0.0292 -1.4027 -0.0548
N4 1.2150 -0.7015 -0.0548   1.2294 0.6760 -0.0548
N5 -1.2150 -0.7015 -0.0548   -1.2001 0.7267 -0.0548
H6 0.8619 1.8591 0.2509   0.8230 -1.8766 0.2509
H7 1.1791 -1.6759 0.2509   1.2137 1.6510 0.2509
H8 -2.0409 -0.1831 0.2509   -2.0367 0.2256 0.2509
H9 -0.0345 1.4717 -1.0744   -0.0652 -1.4706 -1.0744
H10 1.2918 -0.7059 -1.0744   1.3062 0.6789 -1.0744
H11 -1.2572 -0.7657 -1.0744   -1.2410 0.7918 -1.0744
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.1021 1.4630 1.4630 1.4630 2.0520 2.0520 2.0520 2.0554 2.0554 2.0554
H2 1.1021 2.0663 2.0663 2.0663 2.3804 2.3804 2.3804 2.9327 2.9327 2.9327
N3 1.4630 2.0663 2.4300 2.4300 1.0219 3.3111 2.6028 1.0225 2.6750 2.7062
N4 1.4630 2.0663 2.4300 2.4300 2.6028 1.0219 3.3111 2.7062 1.0225 2.6750
N5 1.4630 2.0663 2.4300 2.4300 3.3111 2.6028 1.0219 2.6750 2.7062 1.0225
H6 2.0520 2.3804 1.0219 2.6028 3.3111 3.5492 3.5492 1.6462 2.9190 3.6245
H7 2.0520 2.3804 3.3111 1.0219 2.6028 3.5492 3.5492 3.6245 1.6462 2.9190
H8 2.0520 2.3804 2.6028 3.3111 1.0219 3.5492 3.5492 2.9190 3.6245 1.6462
H9 2.0554 2.9327 1.0225 2.7062 2.6750 1.6462 3.6245 2.9190 2.5497 2.5497
H10 2.0554 2.9327 2.6750 1.0225 2.7062 2.9190 1.6462 3.6245 2.5497 2.5497
H11 2.0554 2.9327 2.7062 2.6750 1.0225 3.6245 2.9190 1.6462 2.5497 2.5497
Maximum atom distance is 3.6245Å 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 112.296 N3 C1 N5 112.296
N4 C1 N5 112.296
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 110.070 C1 N3 H9 110.316
C1 N4 H7 110.070 C1 N4 H10 110.316
C1 N5 H8 110.070 C1 N5 H11 110.316
H2 C1 N3 106.473 H2 C1 N4 106.473
H2 C1 N5 106.473 H6 N3 H9 107.265
H7 N4 H10 107.265 H8 N5 H11 107.265

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