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Geometry for C2H8N2 (Ethylenediamine) 1Ag C2H

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

G3B3
This model chemistry uses a geometry from B3LYP/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3974 0.6604 0.0000   0.7186 0.2786 0.0000
C2 -0.3974 -0.6604 0.0000   -0.7186 -0.2786 0.0000
N3 -0.3974 1.8915 0.0000   1.7958 -0.7149 0.0000
N4 0.3974 -1.8915 0.0000   -1.7958 0.7149 0.0000
H5 1.0126 -1.9017 0.8133   -1.7006 1.3228 0.8133
H6 1.0126 -1.9017 -0.8133   -1.7006 1.3228 -0.8133
H7 -1.0126 1.9017 0.8133   1.7006 -1.3228 0.8133
H8 -1.0126 1.9017 -0.8133   1.7006 -1.3228 -0.8133
H9 -1.0570 -0.6843 -0.8790   -0.8550 -0.9245 -0.8790
H10 -1.0570 -0.6843 0.8790   -0.8550 -0.9245 0.8790
H11 1.0570 0.6843 -0.8790   0.8550 0.9245 -0.8790
H12 1.0570 0.6843 0.8790   0.8550 0.9245 0.8790
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5414 1.4654 2.5519 2.7576 2.7576 2.0470 2.0470 2.1671 2.1671 1.0992 1.0992
C2 1.5414 2.5519 1.4654 2.0470 2.0470 2.7576 2.7576 1.0992 1.0992 2.1671 2.1671
N3 1.4654 2.5519 3.8657 4.1277 4.1277 1.0199 1.0199 2.8005 2.8005 2.0845 2.0845
N4 2.5519 1.4654 3.8657 1.0199 1.0199 4.1277 4.1277 2.0845 2.0845 2.8005 2.8005
H5 2.7576 2.0470 4.1277 1.0199 1.6267 4.3090 4.6058 2.9376 2.4020 3.0909 2.5873
H6 2.7576 2.0470 4.1277 1.0199 1.6267 4.6058 4.3090 2.4020 2.9376 2.5873 3.0909
H7 2.0470 2.7576 1.0199 4.1277 4.3090 4.6058 1.6267 3.0909 2.5873 2.9376 2.4020
H8 2.0470 2.7576 1.0199 4.1277 4.6058 4.3090 1.6267 2.5873 3.0909 2.4020 2.9376
H9 2.1671 1.0992 2.8005 2.0845 2.9376 2.4020 3.0909 2.5873 1.7579 2.5185 3.0713
H10 2.1671 1.0992 2.8005 2.0845 2.4020 2.9376 2.5873 3.0909 1.7579 3.0713 2.5185
H11 1.0992 2.1671 2.0845 2.8005 3.0909 2.5873 2.9376 2.4020 2.5185 3.0713 1.7579
H12 1.0992 2.1671 2.0845 2.8005 2.5873 3.0909 2.4020 2.9376 3.0713 2.5185 1.7579
Maximum atom distance is 4.6058Å 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 116.144 C2 C1 N3 116.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.109 C1 C2 H10 109.109
C1 N3 H7 109.626 C1 N3 H8 109.626
C2 C1 H11 109.109 C2 C1 H12 109.109
C2 N4 H5 109.626 C2 N4 H6 109.626
N3 C1 H11 107.928 N3 C1 H12 107.928
N4 C2 H9 107.928 N4 C2 H10 107.928
H5 N4 H6 105.766 H7 N3 H8 105.766
H9 C2 H10 106.167 H11 C1 H12 106.167

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