# prop

`psi4.driver.``prop`(*args, **kwargs)

  Function to compute various properties.

  Aliases: | prop()
  Returns: | none.

  Caution

  Some features are not yet implemented. Buy a developer a coffee.

  - This function at present has a limited functionality. Consult the keywords sections of other modules for further property capabilities.

  Name | Calls Method | Reference | Supported Properties
  --- | --- | --- | ---
  scf | Self-consistent field method(s) | RHF/ROHF/UHF | Listed here
  hf | HF Self-consistent field method(s) | RHF/ROHF/UHF | Listed here
  mp2 | MP2 with density fitting only (mp2_type df) | RHF | Listed here
  cc2 | 2nd-order approximate CCSD | RHF | dipole, quadrupole, polarizability, rotation, roa_tensor
  ccsd | Coupled cluster singles and doubles (CCSD) | RHF | dipole, quadrupole, polarizability, rotation, roa_tensor
  eom-cc2 | 2nd-order approximate EOM-CCSD | RHF | oscillator_strength, rotational_strength
  eom-ccsd | Equation-of-motion CCSD (EOM-CCSD) | RHF | oscillator_strength, rotational_strength
  cisd, cisdt, cisdt, cisdtq, ci5, …, fci | Configuration interaction | RHF/ROHF | Listed here, transition_dipole, transition_quadrupole
  casscf, rasscf | Multi-configurational SCF | RHF/ROHF | Listed here, transition_dipole, transition_quadrupole

  Parameters:

  - name (string) –

    `'ccsd'` || etc.

    First argument, usually unlabeled. Indicates the computational method to be applied to the system.

  - properties (array of strings) –

    \(\Rightarrow\) `[]` \(\Leftarrow\) || `['rotation', 'polarizability', 'oscillator_strength', 'roa']` || etc.

    Indicates which properties should be computed. Defaults to dipole and quadrupole.

  - molecule (molecule) –

    `h2o` || etc.

    The target molecule, if not the last molecule defined.

  Examples: |

      >>> # [1] Optical rotation calculation
      >>> properties('cc2', properties=['rotation'])