I performed single-point energy optimized using Gaussian software, followed by mapping the electrostatic potential surface around that. There is a clear dipole for that molecule but I want to calculate its direction with respect to the Z-axis.
I found the .log file printed electric dipolemonet of the molecule which has only Z-component. I tried 5 such molecules and all of them has dipolemoment along the Z axis. Thus, it seems that there is an internal coordinate system for each molecule.
To calculate the direction of the dipole moment with respect to the Z-axis, you can follow these steps:
By following these steps, you can determine the direction of the dipole moment with respect to the Z-axis and gain insights into the molecular structure and properties of your system.