START GREEN_FPC_CCPVTZ PERMANENT_DIR /dtemp/user MEMORY STACK 1500 mb HEAP 150 mb GLOBAL 1800 mb noverify GEOMETRY UNITS ANGSTROM C 1.886323 -0.608977 0.000000 C 1.405376 0.725934 0.000000 C 2.367848 1.768642 0.000000 C 3.733291 1.508706 0.000000 C 4.182694 0.178448 0.000000 C 3.251368 -0.875658 0.000000 C 0.000000 1.076411 0.000000 C -1.110194 0.279461 0.000000 C -2.453393 -1.435413 0.000000 C -2.495355 0.841073 0.000000 C -4.763694 -0.283173 0.000000 C -2.960027 -2.849013 0.000000 N -1.178808 -1.124898 0.000000 N -3.305121 -0.328969 0.000000 O -2.918709 1.993492 0.000000 O 5.542915 -0.032035 0.000000 H 2.024329 2.801972 0.000000 H 4.463045 2.314528 0.000000 H 3.603762 -1.907867 0.000000 H 1.169235 -1.423895 0.000000 H -0.222859 2.144694 0.000000 H 5.714476 -0.990130 0.000000 H -4.052005 -2.903427 0.000000 H -2.582489 -3.379834 0.882428 H -2.582489 -3.379834 -0.882428 H -5.043590 0.775079 0.000000 H -5.181498 -0.762254 0.894012 H -5.181498 -0.762254 -0.894012 END BASIS spherical * library cc-pvtz END SCF THRESH 1.0e-9 TOL2E 1.0e-9 SINGLET RHF MAXITER 200 END TCE FREEZE ATOMIC CREOMSD(T) TILESIZE 18 THRESH 1.0d-4 2EORB 2EMET 13 ATTILESIZE 40 NROOTS 1 SYMMETRY TARGETSYM a' END TASK TCE ENERGY