Traceback (most recent call last):
  File "/mainfs/scratch/jj1m25/projects/conf_ga/flex_molecules/opt_confs_b97-3c/DANQEP/min_example.py", line 25, in <module>
    E = psi4.optimize("B97-3c",molecule=mol)
        ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/psi4/driver/driver.py", line 1272, in optimize
    opt_object.take_step()
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/opt_helper.py", line 174, in take_step
    self.dq, self.step_str = self.opt_manager.take_step(self.fq, self._Hq, self.E, return_str=True)
                             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/optimize.py", line 242, in take_step
    achieved_dq, returned_str = self.opt_method.take_step(fq, H, energy, return_str=True)
                                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/stepAlgorithms.py", line 465, in take_step
    return super().take_step(fq, H, energy, return_str)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/stepAlgorithms.py", line 178, in take_step
    achieved_dq, achieved_dx, return_str = displace_molsys(
                                           ^^^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/displace.py", line 97, in displace_molsys
    dq_frag, conv = displace_frag(
                    ^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/displace.py", line 311, in displace_frag
    frozen_conv = back_transformation(
                  ^^^^^^^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/displace.py", line 398, in back_transformation
    dx_rms, dx_max = dq_to_dx(intcos, geom, dq, **kwargs)
                     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/jj1m25/.conda/envs/cspy-ea/lib/python3.11/site-packages/optking/displace.py", line 509, in dq_to_dx
    raise OptError(
optking.exceptions.OptError: Back transformation failed. Cartesian Step size too large. Please restart from the most recent geometry