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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

CCSD(T)=FULL/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3727 -0.5718 0.1224   1.3876 -0.5295 0.1426
C2 -0.6396 0.6495 -0.2861   0.6230 0.6645 -0.2883
C3 0.7802 0.5606 0.2814   -0.7991 0.5408 0.2669
O4 1.4346 -0.6271 -0.1725   -1.4138 -0.6713 -0.1780
H5 -1.6672 -0.4913 1.0988   1.6702 -0.4282 1.1206
H6 -2.2267 -0.6811 -0.4261   2.2498 -0.6203 -0.3964
H7 -1.1182 1.5945 0.0442   1.0704 1.6272 0.0344
H8 -0.5823 0.6561 -1.3887   0.5763 0.6557 -1.3914
H9 1.3879 1.4177 -0.0556   -1.4284 1.3753 -0.0867
H10 0.7387 0.5839 1.3921   -0.7691 0.5791 1.3775
H11 0.7562 -1.3205 -0.1131   -0.7159 -1.3436 -0.1034
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4819 2.4377 2.8233 1.0230 1.0208 2.1826 2.1014 3.4075 2.7213 2.2690
C2 1.4819 1.5316 2.4382 2.0678 2.0758 1.1095 1.1041 2.1803 2.1726 2.4206
C3 2.4377 1.5316 1.4300 2.7866 3.3292 2.1747 2.1575 1.1034 1.1117 1.9222
O4 2.8233 2.4382 1.4300 3.3550 3.6704 3.3910 2.6821 2.0487 2.0973 0.9719
H5 1.0230 2.0678 2.7866 3.3550 1.6353 2.4009 2.9464 3.7830 2.6515 2.8336
H6 1.0208 2.0758 3.3292 3.6704 1.6353 2.5745 2.3278 4.1961 3.7012 3.0667
H7 2.1826 1.1095 2.1747 3.3910 2.4009 2.5745 1.7947 2.5143 2.5072 3.4692
H8 2.1014 1.1041 2.1575 2.6821 2.9464 2.3278 1.7947 2.4978 3.0794 2.7067
H9 3.4075 2.1803 1.1034 2.0487 3.7830 4.1961 2.5143 2.4978 1.7923 2.8107
H10 2.7213 2.1726 1.1117 2.0973 2.6515 3.7012 2.5072 3.0794 1.7923 2.4275
H11 2.2690 2.4206 1.9222 0.9719 2.8336 3.0667 3.4692 2.7067 2.8107 2.4275
Maximum atom distance is 4.1961Å 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 107.974 C2 C3 O4 110.784
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 113.983 N1 C2 H8 107.809
C2 N1 H5 109.919 C2 N1 H6 110.728
C2 C3 H9 110.627 C2 C3 H10 109.531
C3 C2 H7 109.819 C3 C2 H8 108.801
C3 O4 H11 104.701 O4 C3 H9 107.231
O4 C3 H10 110.589 H5 N1 H6 106.281
H7 C2 H8 108.335 H9 C3 H10 108.022

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