diff --git a/openfermionpyscf/_run_pyscf.py b/openfermionpyscf/_run_pyscf.py
index 997e545..18cac37 100644
--- a/openfermionpyscf/_run_pyscf.py
+++ b/openfermionpyscf/_run_pyscf.py
@@ -237,7 +237,8 @@ def generate_molecular_hamiltonian(
 
     # Run electronic structure calculations
     molecule = run_pyscf(
-            MolecularData(geometry, basis, multiplicity, charge)
+            MolecularData(geometry, basis, multiplicity, charge),
+            save=False
     )
 
     # Freeze core orbitals and truncate to active space
diff --git a/openfermionpyscf/tests/_run_pyscf_test.py b/openfermionpyscf/tests/_run_pyscf_test.py
index a7083a7..0e5cb11 100644
--- a/openfermionpyscf/tests/_run_pyscf_test.py
+++ b/openfermionpyscf/tests/_run_pyscf_test.py
@@ -24,13 +24,14 @@
 basis = '6-31g'
 multiplicity = 1
 charge = 0
-molecule = MolecularData(geometry,
-                         basis,
-                         multiplicity,
-                         charge)
 
 
-def test_run_pyscf():
+def test_run_pyscf(tmp_path):
+    molecule = MolecularData(geometry,
+                             basis,
+                             multiplicity,
+                             charge,
+                             data_directory=str(tmp_path))
     new_mole = run_pyscf(molecule,
                          run_scf=True,
                          run_mp2=True,
@@ -39,6 +40,7 @@ def test_run_pyscf():
                          run_fci=True,
                          verbose=1)
     assert isinstance(new_mole, PyscfMolecularData)
+    assert os.path.exists(f'{new_mole.filename}.hdf5')
 
 
 def test_run_pyscf_without_save(tmp_path):