# ImportError when setting up PySCF driver

I have a problem when attempting to set up a PySCF driver for a hydrogen molecule from the QISKIT Chemistry tutorial: https://qiskit.org/documentation/tutorials/chemistry/01_electronic_structure.html.

The code:

from qiskit.chemistry.drivers import PySCFDriver, UnitsType, Molecule

molecule = Molecule(geometry = [['H', [0., 0., 0.]],
['H', [0., 0., 0.735]]],
charge = 0 , multiplicity = 1)

driver = PySCFDriver(molecule = molecule, unit = UnitsType.ANGSTROM, basis = 'sto3g')


When this is run, I receive: ImportError: cannot import name 'Molecule' from 'qiskit.chemistry.drivers' (C:\Users\louis\anaconda3\lib\site-packages\qiskit\chemistry\drivers_init_.py) I am not entirely sure what is causing this error and any help would be appreciated.

• As the other answer pointed out, Molecule is a new release of Qiskit so you would need to update your Qiskit to the latest version to use it (maybe through pip install qiskit --upgrade). I just tried to use it on the latest version of qiskit {'qiskit-terra': '0.16.0', 'qiskit-aer': '0.67.0', 'qiskit-ignis': '0.5.0', 'qiskit-aqua': '0.8.0', 'qiskit': '0.23.0'} and the code you posted seems to work just fine. – KAJ226 Nov 5 '20 at 16:35
• Thank you for the responses as you have fixed the original issue, however, a new one has come up. When running the code above, I now receive QiskitChemistryError: 'PySCF is not installed. See https://sunqm.github.io/pyscf/install.html' I thought PySCF was installed but decided to attempt to install it anyway in the anaconda prompt with: pip install pyscf But this returns an error: NameError: name 'LD_LIBRARY_PATH' is not defined Any help to fix this problem would be appreciated. – LouisL Nov 5 '20 at 18:47