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Geometry for CH(CN)3 (tricyanomethane) 1A1 C3V

1910171554
nChI=1S/C4HN3/c5-1-4(2-6)3-7/h4H INChIKey=HFWIMJHBCIGYFH-UHFFFAOYSA-N

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Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5003   0.0000 0.0000 0.5003
H2 0.0000 0.0000 1.5953   0.0000 0.0000 1.5953
C3 0.0000 1.4016 0.0555   0.0000 1.4016 0.0555
C4 1.2138 -0.7008 0.0555   1.2138 -0.7008 0.0555
C5 -1.2138 -0.7008 0.0555   -1.2138 -0.7008 0.0555
N6 0.0000 2.4996 -0.2665   0.0000 2.4996 -0.2665
N7 2.1647 -1.2498 -0.2665   2.1647 -1.2498 -0.2665
N8 -2.1647 -1.2498 -0.2665   -2.1647 -1.2498 -0.2665
Atom - Atom Distances (Å)
  C1 H2 C3 C4 C5 N6 N7 N8
C1 1.0950 1.4705 1.4705 1.4705 2.6146 2.6146 2.6146
H2 1.0950 2.0821 2.0821 2.0821 3.1167 3.1167 3.1167
C3 1.4705 2.0821 2.4277 2.4277 1.1442 3.4380 3.4380
C4 1.4705 2.0821 2.4277 2.4277 3.4380 1.1442 3.4380
C5 1.4705 2.0821 2.4277 2.4277 3.4380 3.4380 1.1442
N6 2.6146 3.1167 1.1442 3.4380 3.4380 4.3294 4.3294
N7 2.6146 3.1167 3.4380 1.1442 3.4380 4.3294 4.3294
N8 2.6146 3.1167 3.4380 3.4380 1.1442 4.3294 4.3294
Maximum atom distance is 4.3294Å between atoms N7 and N8.
picture of tricyanomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 N6 178.739 C1 C4 N7 178.739
C1 C5 N8 178.739 C3 C1 C4 111.270
C3 C1 C5 111.270 C4 C1 C5 111.270
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 C3 107.606 H2 C1 C4 107.606
H2 C1 C5 107.606

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