diff --git a/rmgpy/species.py b/rmgpy/species.py index 7db5212623..76e89e7f83 100644 --- a/rmgpy/species.py +++ b/rmgpy/species.py @@ -328,7 +328,12 @@ def hasStatMech(self): Return ``True`` if the species has statistical mechanical parameters, or ``False`` otherwise. """ - return self.conformer is not None and (len(self.conformer.modes) > 0 or (len(self.molecule) > 0 and len(self.molecule[0].atoms) == 1)) + if (len(self.molecule) > 0 and len(self.molecule[0].atoms) == 1): + #atomic molecules have no modes, check only E0 + return self.conformer is not None and self.conformer.E0 is not None + else: + #polyatomic molecules should have modes and E0, so check both + return self.conformer is not None and len(self.conformer.modes) > 0 and self.conformer.E0 is not None def hasThermo(self): """