To find molecular geometry for Psi4, you can use the "optimize" command in Psi4 to perform a geometry optimization calculation. This will determine the most stable molecular geometry for your system.
Yes, you can visualize the molecular geometry in Psi4 using visualization software such as VMD or PyMOL. Psi4 can output the optimized molecular geometry in various file formats that can be read by these visualization programs.
Yes, when setting up your input file for Psi4, you can specify the initial molecular geometry using either Cartesian coordinates or Z-matrix format. Psi4 is flexible in accepting different input formats for specifying molecular geometry.
The accuracy of the molecular geometry predicted by Psi4 depends on the level of theory and basis set used in the calculation. Higher levels of theory and larger basis sets generally lead to more accurate predictions of molecular geometry.
Yes, Psi4 can calculate not only molecular geometry but also bond angles and dihedral angles. By performing a geometry optimization calculation in Psi4, you can obtain information on bond lengths, bond angles, and dihedral angles for your molecular system.