#!/bin/bash $AMSBIN/ams --delete-old-results << eor system Atoms C 1.18331100 0.30836400 11.02349105 C -0.10063900 0.21633400 11.79895105 O -1.27059900 0.82515400 11.18080106 C -1.23206900 -0.60900600 11.35242101 H -1.13647900 -1.17166600 10.42305102 H -1.95436900 -0.99261600 12.07533106 H -0.03627900 0.43763400 12.86826100 H 1.93914100 -0.35123600 11.46982106 H 1.57360100 1.33453400 11.04262104 H 1.03438100 0.00250400 9.98009106 End End task SinglePoint Engine adf Relativity Level None End basis type DZP core none End symmetry NOSYM xc Hybrid B3LYP End QMFQ FORCEFIELD wFQFmu_RQRMu LifeFrequency 2.40746 LifeState 2 AtomType Symbol Au End Coords Au -4.08000000 -2.04000000 -2.04000000 1 Au -2.04000000 -4.08000000 -2.04000000 1 Au -2.04000000 -2.04000000 -4.08000000 1 Au -4.08000000 -2.04000000 2.04000000 1 Au -2.04000000 -4.08000000 2.04000000 1 Au -2.04000000 -2.04000000 0.00000000 1 Au -2.04000000 -2.04000000 4.08000000 1 Au -4.08000000 2.04000000 -2.04000000 1 Au -2.04000000 0.00000000 -2.04000000 1 Au -2.04000000 2.04000000 -4.08000000 1 Au -4.08000000 0.00000000 0.00000000 1 Au -4.08000000 2.04000000 2.04000000 1 Au -2.04000000 0.00000000 2.04000000 1 Au -2.04000000 2.04000000 0.00000000 1 Au -2.04000000 2.04000000 4.08000000 1 Au -2.04000000 4.08000000 -2.04000000 1 Au -2.04000000 4.08000000 2.04000000 1 Au 0.00000000 -2.04000000 -2.04000000 1 Au 2.04000000 -4.08000000 -2.04000000 1 Au 2.04000000 -2.04000000 -4.08000000 1 Au 0.00000000 -4.08000000 0.00000000 1 Au 0.00000000 -2.04000000 2.04000000 1 Au 2.04000000 -4.08000000 2.04000000 1 Au 2.04000000 -2.04000000 0.00000000 1 Au 2.04000000 -2.04000000 4.08000000 1 Au 0.00000000 0.00000000 -4.08000000 1 Au 0.00000000 2.04000000 -2.04000000 1 Au 2.04000000 0.00000000 -2.04000000 1 Au 2.04000000 2.04000000 -4.08000000 1 Au 0.00000000 0.00000000 0.00000000 1 Au 0.00000000 2.04000000 2.04000000 1 Au 2.04000000 0.00000000 2.04000000 1 Au 2.04000000 2.04000000 0.00000000 1 Au 0.00000000 0.00000000 4.08000000 1 Au 2.04000000 2.04000000 4.08000000 1 Au 2.04000000 4.08000000 -2.04000000 1 Au 0.00000000 4.08000000 0.00000000 1 Au 2.04000000 4.08000000 2.04000000 1 Au 4.08000000 -2.04000000 -2.04000000 1 Au 4.08000000 -2.04000000 2.04000000 1 Au 4.08000000 2.04000000 -2.04000000 1 Au 4.08000000 0.00000000 0.00000000 1 Au 4.08000000 2.04000000 2.04000000 1 End END EXCITATIONS ALLOWED LOWEST 3 ONLYSING END EndEngine eor