What is happening
You take control of a membrane filter that lets the wrong molecules through.
The prediction is useless as it stands. The filter blocks anything with a dipole moment above 1.85 D, and the modelled charge separation is wrong.
Dipole moment
0.307D
Filter threshold
1.85D
Dipole moment is short by 1.54 D
Bonding bench. Charge separation at 0.256 Å. Dipole moment 0.307 D, Filter threshold 1.85 D. Currently dipole moment is short by 1.54 D.
What is happening
You take control of a membrane filter that lets the wrong molecules through.
The prediction is useless as it stands. The filter blocks anything with a dipole moment above 1.85 D, and the modelled charge separation is wrong.