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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

B3LYP/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3756 -0.5758 0.1210   -1.3604 -0.6121 0.1137
C2 -0.6443 0.6606 -0.2767   -0.6595 0.6401 -0.2890
C3 0.7973 0.5635 0.2745   0.7789 0.5877 0.2765
O4 1.4287 -0.6404 -0.1727   1.4473 -0.6025 -0.1532
H5 -1.6692 -0.5016 1.1006   -1.6653 -0.5368 1.0898
H6 -2.2304 -0.6750 -0.4336   -2.2069 -0.7400 -0.4477
H7 -1.1248 1.6011 0.0671   -1.1688 1.5702 0.0412
H8 -0.5989 0.6820 -1.3794   -0.6041 0.6523 -1.3915
H9 1.4054 1.4110 -0.0863   1.3671 1.4481 -0.0868
H10 0.7748 0.6093 1.3864   0.7446 0.6433 1.3876
H11 0.7247 -1.3182 -0.1068   0.7614 -1.2988 -0.0873
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4905 2.4582 2.8204 1.0254 1.0237 2.1919 2.1062 3.4240 2.7622 2.2393
C2 1.4905 1.5465 2.4496 2.0732 2.0795 1.1106 1.1039 2.1910 2.1869 2.4122
C3 2.4582 1.5465 1.4311 2.8108 3.3470 2.1941 2.1677 1.1037 1.1130 1.9213
O4 2.8204 2.4496 1.4311 3.3523 3.6685 3.4062 2.7048 2.0533 2.1024 0.9795
H5 1.0254 2.0732 2.8108 3.3523 1.6427 2.4053 2.9490 3.8105 2.6999 2.8028
H6 1.0237 2.0795 3.3470 3.6685 1.6427 2.5795 2.3233 4.2061 3.7407 3.0419
H7 2.1919 1.1106 2.1941 3.4062 2.4053 2.5795 1.7927 2.5420 2.5165 3.4602
H8 2.1062 1.1039 2.1677 2.7048 2.9490 2.3233 1.7927 2.4942 3.0890 2.7152
H9 3.4240 2.1910 1.1037 2.0533 3.8105 4.2061 2.5420 2.4942 1.7914 2.8129
H10 2.7622 2.1869 1.1130 2.1024 2.6999 3.7407 2.5165 3.0890 1.7914 2.4387
H11 2.2393 2.4122 1.9213 0.9795 2.8028 3.0419 3.4602 2.7152 2.8129 2.4387
Maximum atom distance is 4.2061Å between atoms H6 and H9.
picture of monoethanolamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 108.070 C2 C3 O4 110.655
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 114.052 N1 C2 H8 107.623
C2 N1 H5 109.597 C2 N1 H6 110.219
C2 C3 H9 110.417 C2 C3 H10 109.550
C3 C2 H7 110.252 C3 C2 H8 108.598
C3 O4 H11 104.124 O4 C3 H9 107.499
O4 C3 H10 110.838 H5 N1 H6 106.581
H7 C2 H8 108.098 H9 C3 H10 107.824

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