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Geometry for CH7N3 (triaminomethane) 1A C3

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

MP2/CEP-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 0.3749   -0.0000 -0.0000 0.3749
H2 0.0000 0.0000 1.4829   -0.0000 -0.0000 1.4829
N3 0.0000 1.4350 -0.0628   -0.2850 -1.4065 -0.0628
N4 1.2428 -0.7175 -0.0628   1.3605 0.4564 -0.0628
N5 -1.2428 -0.7175 -0.0628   -1.0755 0.9501 -0.0628
H6 0.8244 1.9507 0.2692   0.4205 -2.0756 0.2692
H7 1.2772 -1.6893 0.2692   1.5872 1.4019 0.2692
H8 -2.1015 -0.2614 0.2692   -2.0077 0.6736 0.2692
H9 -0.1443 1.5575 -1.0740   -0.4507 -1.4978 -1.0740
H10 1.4210 -0.6538 -1.0740   1.5225 0.3585 -1.0740
H11 -1.2767 -0.9037 -1.0740   -1.0718 1.1393 -1.0740
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.1080 1.5003 1.5003 1.5003 2.1204 2.1204 2.1204 2.1321 2.1321 2.1321
H2 1.1080 2.1092 2.1092 2.1092 2.4409 2.4409 2.4409 2.9974 2.9974 2.9974
N3 1.5003 2.1092 2.4856 2.4856 1.0275 3.3916 2.7212 1.0288 2.7212 2.8499
N4 1.5003 2.1092 2.4856 2.4856 2.7212 1.0275 3.3916 2.8499 1.0288 2.7212
N5 1.5003 2.1092 2.4856 2.4856 3.3916 2.7212 1.0275 2.7212 2.8499 1.0288
H6 2.1204 2.4409 1.0275 2.7212 3.3916 3.6680 3.6680 1.7021 2.9906 3.7903
H7 2.1204 2.4409 3.3916 1.0275 2.7212 3.6680 3.6680 3.7903 1.7021 2.9906
H8 2.1204 2.4409 2.7212 3.3916 1.0275 3.6680 3.6680 2.9906 3.7903 1.7021
H9 2.1321 2.9974 1.0288 2.8499 2.7212 1.7021 3.7903 2.9906 2.7092 2.7092
H10 2.1321 2.9974 2.7212 1.0288 2.8499 2.9906 1.7021 3.7903 2.7092 2.7092
H11 2.1321 2.9974 2.8499 2.7212 1.0288 3.7903 2.9906 1.7021 2.7092 2.7092
Maximum atom distance is 3.7903Å between atoms H7 and H9.
picture of triaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C1 N4 111.861 N3 C1 N5 111.861
N4 C1 N5 111.861
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 112.692 C1 N3 H9 113.614
C1 N4 H7 112.692 C1 N4 H10 113.614
C1 N5 H8 112.692 C1 N5 H11 113.614
H2 C1 N3 106.961 H2 C1 N4 106.961
H2 C1 N5 106.961 H6 N3 H9 111.740
H7 N4 H10 111.740 H8 N5 H11 111.740

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