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Geometry for NH2CCNH2 (Diaminoacetylene) 1A C2

1910171554
InChI=1S/C2H4N2/c3-1-2-4/h3-4H2 INChIKey=PGAFCJWTBHYLDN-UHFFFAOYSA-N

MP3=FULL/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0066 0.6049 0.0436   0.0437 -0.0059 0.6049
C2 -0.0066 -0.6049 0.0436   0.0435 0.0073 -0.6049
N3 -0.0066 1.9661 -0.0784   -0.0785 0.0054 1.9661
N4 0.0066 -1.9661 -0.0784   -0.0783 -0.0079 -1.9661
H5 -0.3388 2.4618 0.7323   0.7267 0.3505 2.4618
H6 0.8407 2.3677 -0.4451   -0.4316 -0.8477 2.3677
H7 0.3388 -2.4618 0.7323   0.7376 -0.3270 -2.4618
H8 -0.8407 -2.3677 -0.4451   -0.4585 0.8334 -2.3677
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8
C1 1.2098 1.3668 2.5738 2.0104 2.0105 3.1606 3.1293
C2 1.2098 2.5738 1.3668 3.1606 3.1293 2.0104 2.0105
N3 1.3668 2.5738 3.9322 1.0066 1.0068 4.5148 4.4285
N4 2.5738 1.3668 3.9322 4.5148 4.4285 1.0066 1.0068
H5 2.0104 3.1606 1.0066 4.5148 1.6692 4.9701 4.9962
H6 2.0105 3.1293 1.0068 4.4285 1.6692 4.9962 5.0250
H7 3.1606 2.0104 4.5148 1.0066 4.9701 4.9962 1.6692
H8 3.1293 2.0105 4.4285 1.0068 4.9962 5.0250 1.6692
Maximum atom distance is 5.0250Å between atoms H6 and H8.
picture of Diaminoacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 174.741 C2 C1 N3 174.741
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 114.947 C1 N3 H6 114.936
C2 N4 H7 114.947 C2 N4 H8 114.936
H5 N3 H6 111.997 H7 N4 H8 111.997

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