#!/bin/sh export NSCM=1 "$AMSBIN/ams" << eor Task SinglePoint System Atoms U 0.0 0.0 0.0 End Charge 91.0 End Engine Gouda XCFunctional HF Unrestricted SpinPolarization 1.0 Basis Type jorge-TZP-ZORA-uncontracted FitType jorge-TZP-ZORA-uncontracted-autoaux GuessType minao-1 End Relativity Level Scalar End XCGridLevel 5 EndEngine eor