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Geometry for CH7N3 (triaminomethane) 1A C3

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

B3LYPultrafine/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 0.3649   0.0000 0.0000 0.3649
H2 0.0000 0.0000 1.4619   0.0000 0.0000 1.4619
N3 0.0000 1.4014 -0.0543   1.3956 0.1277 -0.0543
N4 1.2136 -0.7007 -0.0543   -0.8084 1.1447 -0.0543
N5 -1.2136 -0.7007 -0.0543   -0.5872 -1.2725 -0.0543
H6 0.8791 1.8298 0.2390   1.7421 1.0422 0.2390
H7 1.1451 -1.6762 0.2390   -1.7736 0.9876 0.2390
H8 -2.0242 -0.1536 0.2390   0.0315 -2.0298 0.2390
H9 -0.0084 1.4461 -1.0757   1.4408 0.1234 -1.0757
H10 1.2566 -0.7157 -1.0757   -0.8273 1.1861 -1.0757
H11 -1.2481 -0.7303 -1.0757   -0.6136 -1.3095 -1.0757
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.0970 1.4628 1.4628 1.4628 2.0340 2.0340 2.0340 2.0412 2.0412 2.0412
H2 1.0970 2.0647 2.0647 2.0647 2.3700 2.3700 2.3700 2.9208 2.9208 2.9208
N3 1.4628 2.0647 2.4273 2.4273 1.0210 3.2968 2.5694 1.0224 2.6654 2.6731
N4 1.4628 2.0647 2.4273 2.4273 2.5694 1.0210 3.2968 2.6731 1.0224 2.6654
N5 1.4628 2.0647 2.4273 2.4273 3.2968 2.5694 1.0210 2.6654 2.6731 1.0224
H6 2.0340 2.3700 1.0210 2.5694 3.2968 3.5162 3.5162 1.6320 2.8898 3.5788
H7 2.0340 2.3700 3.2968 1.0210 2.5694 3.5162 3.5162 3.5788 1.6320 2.8898
H8 2.0340 2.3700 2.5694 3.2968 1.0210 3.5162 3.5162 2.8898 3.5788 1.6320
H9 2.0412 2.9208 1.0224 2.6731 2.6654 1.6320 3.5788 2.8898 2.5047 2.5047
H10 2.0412 2.9208 2.6654 1.0224 2.6731 2.8898 1.6320 3.5788 2.5047 2.5047
H11 2.0412 2.9208 2.6731 2.6654 1.0224 3.5788 2.8898 1.6320 2.5047 2.5047
Maximum atom distance is 3.5788Å 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 112.134 N3 C1 N5 112.134
N4 C1 N5 112.134
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 108.645 C1 N3 H9 109.160
C1 N4 H7 108.645 C1 N4 H10 109.160
C1 N5 H8 108.645 C1 N5 H11 109.160
H2 C1 N3 106.655 H2 C1 N4 106.655
H2 C1 N5 106.655 H6 N3 H9 106.007
H7 N4 H10 106.007 H8 N5 H11 106.007

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