pip install cclib
python
import cclib
data = cclib.io.ccread("output.log")
molecule = data.atomcoords
python
import cclib
data = cclib.io.ccread("output.log")
bond_energies = data.gbonds
total_energy = data.scfenergies[-1]
python
import cclib
data = cclib.io.ccread("output.log")
spin_density = data.spinden
