python
import cclib
def calculate_charges(output_file_path):
data = cclib.io.ccread(output_file_path)
charges = data.atomcharges
for index, charge in enumerate(charges):
print("Atom {}: {}".format(index+1, charge))
calculate_charges("output.log")
python
import cclib
def calculate_electronic_structure(output_file_path):
data = cclib.io.ccread(output_file_path)
orbitals = data.moenergies
bonds = data.atomconnectivity
print("Molecular Orbitals:")
print(orbitals)
print("Bonds:")
print(bonds)
calculate_electronic_structure("output.log")
