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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

B3LYPultrafine/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3670 -0.5614 0.1203   -1.3516 -0.5991 0.1124
C2 -0.6351 0.6514 -0.2705   -0.6507 0.6307 -0.2820
C3 0.7882 0.5570 0.2662   0.7695 0.5814 0.2687
O4 1.4161 -0.6347 -0.1659   1.4351 -0.5955 -0.1473
H5 -1.6720 -0.5062 1.0848   -1.6672 -0.5446 1.0735
H6 -2.1932 -0.6945 -0.4470   -2.1682 -0.7604 -0.4614
H7 -1.1011 1.5845 0.0708   -1.1463 1.5530 0.0470
H8 -0.5969 0.6788 -1.3606   -0.6029 0.6502 -1.3718
H9 1.3859 1.3955 -0.0941   1.3465 1.4336 -0.0932
H10 0.7693 0.6136 1.3650   0.7385 0.6465 1.3668
H11 0.7293 -1.3142 -0.1077   0.7673 -1.2937 -0.0896
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4694 2.4324 2.7988 1.0131 1.0111 2.1628 2.0794 3.3843 2.7374 2.2390
C2 1.4694 1.5240 2.4233 2.0620 2.0665 1.0975 1.0911 2.1608 2.1560 2.3982
C3 2.4324 1.5240 1.4146 2.8023 3.3111 2.1595 2.1400 1.0910 1.1005 1.9090
O4 2.7988 2.4233 1.4146 3.3343 3.6208 3.3641 2.6842 2.0317 2.0786 0.9679
H5 1.0131 2.0620 2.8023 3.3343 1.6291 2.3927 2.9223 3.7891 2.7004 2.8002
H6 1.0111 2.0665 3.3111 3.6208 1.6291 2.5797 2.2954 4.1597 3.7110 3.0067
H7 2.1628 1.0975 2.1595 3.3641 2.3927 2.5797 1.7673 2.4997 2.4731 3.4328
H8 2.0794 1.0911 2.1400 2.6842 2.9223 2.2954 1.7673 2.4595 3.0495 2.7019
H9 3.3843 2.1608 1.0910 2.0317 3.7891 4.1597 2.4997 2.4595 1.7666 2.7881
H10 2.7374 2.1560 1.1005 2.0786 2.7004 3.7110 2.4731 3.0495 1.7666 2.4262
H11 2.2390 2.3982 1.9090 0.9679 2.8002 3.0067 3.4328 2.7019 2.7881 2.4262
Maximum atom distance is 4.1597Å 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 108.688 C2 C3 O4 111.049
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 114.046 N1 C2 H8 107.690
C2 N1 H5 110.990 C2 N1 H6 111.500
C2 C3 H9 110.349 C2 C3 H10 109.415
C3 C2 H7 109.863 C3 C2 H8 108.706
C3 O4 H11 104.949 O4 C3 H9 107.661
O4 C3 H10 110.853 H5 N1 H6 107.184
H7 C2 H8 107.709 H9 C3 H10 107.437

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