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Geometry for NH2CCNH2 (Diaminoacetylene) 1A C2

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

mPW1PW91/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0024 0.6060 -0.0143   0.6060 -0.0143 0.0023
C2 -0.0024 -0.6060 -0.0143   -0.6060 -0.0143 -0.0023
N3 -0.0024 1.9588 -0.0296   1.9588 -0.0296 -0.0025
N4 0.0024 -1.9588 -0.0296   -1.9588 -0.0296 0.0025
H5 -0.4145 2.4541 0.7596   2.4541 0.7596 -0.4147
H6 0.7819 2.4409 -0.4667   2.4410 -0.4667 0.7817
H7 0.4145 -2.4541 0.7596   -2.4541 0.7596 0.4147
H8 -0.7819 -2.4409 -0.4667   -2.4410 -0.4667 -0.7817
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8
C1 1.2120 1.3529 2.5648 2.0465 2.0443 3.1832 3.1786
C2 1.2120 2.5648 1.3529 3.1832 3.1786 2.0465 2.0443
N3 1.3529 2.5648 3.9176 1.0188 1.0191 4.5023 4.4896
N4 2.5648 1.3529 3.9176 4.5023 4.4896 1.0188 1.0191
H5 2.0465 3.1832 1.0188 4.5023 1.7133 4.9777 5.0596
H6 2.0443 3.1786 1.0191 4.4896 1.7133 5.0596 5.1262
H7 3.1832 2.0465 4.5023 1.0188 4.9777 5.0596 1.7133
H8 3.1786 2.0443 4.4896 1.0191 5.0596 5.1262 1.7133
Maximum atom distance is 5.1262Å 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 179.221 C2 C1 N3 179.221
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 118.604 C1 N3 H6 118.371
C2 N4 H7 118.604 C2 N4 H8 118.371
H5 N3 H6 114.429 H7 N4 H8 114.429

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