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Geometry for C2H8N2 (Ethylenediamine) 1Ag C2H

1910171554
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 INChIKey=PIICEJLVQHRZGT-UHFFFAOYSA-N

QCISD/6-31G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3990 0.6548 0.0000   0.7142 0.2792 0.0000
C2 -0.3990 -0.6548 0.0000   -0.7142 -0.2792 0.0000
N3 -0.3990 1.8834 0.0000   1.7854 -0.7201 0.0000
N4 0.3990 -1.8834 0.0000   -1.7854 0.7201 0.0000
H5 1.0118 -1.8841 0.8097   -1.6797 1.3237 0.8097
H6 1.0118 -1.8841 -0.8097   -1.6797 1.3237 -0.8097
H7 -1.0118 1.8841 0.8097   1.6797 -1.3237 0.8097
H8 -1.0118 1.8841 -0.8097   1.6797 -1.3237 -0.8097
H9 -1.0535 -0.6766 -0.8768   -0.8493 -0.9200 -0.8768
H10 -1.0535 -0.6766 0.8768   -0.8493 -0.9200 0.8768
H11 1.0535 0.6766 -0.8768   0.8493 0.9200 -0.8768
H12 1.0535 0.6766 0.8768   0.8493 0.9200 0.8768
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5336 1.4650 2.5382 2.7344 2.7344 2.0389 2.0389 2.1566 2.1566 1.0944 1.0944
C2 1.5336 2.5382 1.4650 2.0389 2.0389 2.7344 2.7344 1.0944 1.0944 2.1566 2.1566
N3 1.4650 2.5382 3.8504 4.1036 4.1036 1.0155 1.0155 2.7840 2.7840 2.0821 2.0821
N4 2.5382 1.4650 3.8504 1.0155 1.0155 4.1036 4.1036 2.0821 2.0821 2.7840 2.7840
H5 2.7344 2.0389 4.1036 1.0155 1.6194 4.2771 4.5735 2.9271 2.3934 3.0664 2.5618
H6 2.7344 2.0389 4.1036 1.0155 1.6194 4.5735 4.2771 2.3934 2.9271 2.5618 3.0664
H7 2.0389 2.7344 1.0155 4.1036 4.2771 4.5735 1.6194 3.0664 2.5618 2.9271 2.3934
H8 2.0389 2.7344 1.0155 4.1036 4.5735 4.2771 1.6194 2.5618 3.0664 2.3934 2.9271
H9 2.1566 1.0944 2.7840 2.0821 2.9271 2.3934 3.0664 2.5618 1.7536 2.5041 3.0570
H10 2.1566 1.0944 2.7840 2.0821 2.3934 2.9271 2.5618 3.0664 1.7536 3.0570 2.5041
H11 1.0944 2.1566 2.0821 2.7840 3.0664 2.5618 2.9271 2.3934 2.5041 3.0570 1.7536
H12 1.0944 2.1566 2.0821 2.7840 2.5618 3.0664 2.3934 2.9271 3.0570 2.5041 1.7536
Maximum atom distance is 4.5735Å between atoms H5 and H8.
picture of Ethylenediamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 115.639 C2 C1 N3 115.639
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.160 C1 C2 H10 109.160
C1 N3 H7 109.226 C1 N3 H8 109.226
C2 C1 H11 109.160 C2 C1 H12 109.160
C2 N4 H5 109.226 C2 N4 H6 109.226
N3 C1 H11 108.005 N3 C1 H12 108.005
N4 C2 H9 108.005 N4 C2 H10 108.005
H5 N4 H6 105.760 H7 N3 H8 105.760
H9 C2 H10 106.487 H11 C1 H12 106.487

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