START p2ta_eomccsd PERMANENT_DIR /dtemp/kowalski MEMORY stack 1200 mb heap 100 mb global 1500 mb noverify GEOMETRY units angstrom SYMMETRY d2h H -12.82461990 -1.34441500 0.00000000 H -12.82461990 1.34441500 0.00000000 C -11.97841099 -0.67594620 0.00000000 C -11.97841099 0.67594620 0.00000000 H -10.94514224 -3.16984607 0.00000000 H -10.94514224 3.16984607 0.00000000 C -10.58266488 -1.08330946 0.00000000 C -10.58266488 1.08330946 0.00000000 C -10.16826656 -2.41701954 0.00000000 C -10.16826656 2.41701954 0.00000000 N -9.76211904 0.00000000 0.00000000 H -9.07947451 -5.10429627 0.00000000 H -9.07947451 5.10429627 0.00000000 C -8.86504393 -2.89173199 0.00000000 C -8.86504393 2.89173199 0.00000000 C -8.42239241 -4.25076494 0.00000000 C -8.42239241 4.25076494 0.00000000 H -7.74886175 -1.10580132 0.00000000 H -7.74886175 1.10580132 0.00000000 N -7.73584565 -2.11519955 0.00000000 N -7.73584565 2.11519955 0.00000000 C -7.05528398 -4.25103467 0.00000000 C -7.05528398 4.25103467 0.00000000 C -6.61124147 -2.89159923 0.00000000 C -6.61124147 2.89159923 0.00000000 H -6.39726669 -5.10356325 0.00000000 H -6.39726669 5.10356325 0.00000000 N -5.65561541 0.00000000 0.00000000 C -5.29948753 -2.42966649 0.00000000 C -5.29948753 2.42966649 0.00000000 C -4.87131225 -1.11006337 0.00000000 C -4.87131225 1.11006337 0.00000000 H -4.52044475 -3.17947259 0.00000000 H -4.52044475 3.17947259 0.00000000 C -3.46110145 -0.71787974 0.00000000 C -3.46110145 0.71787974 0.00000000 N -2.38191028 -1.44279686 0.00000000 N -2.38191028 1.44279686 0.00000000 C -1.21241473 -0.72467625 0.00000000 C -1.21241473 0.72467625 0.00000000 H 0.00000000 -2.48972260 0.00000000 C 0.00000000 -1.40938137 0.00000000 C 0.00000000 1.40938137 0.00000000 H 0.00000000 2.48972260 0.00000000 C 1.21241473 -0.72467625 0.00000000 C 1.21241473 0.72467625 0.00000000 N 2.38191028 -1.44279686 0.00000000 N 2.38191028 1.44279686 0.00000000 C 3.46110145 -0.71787974 0.00000000 C 3.46110145 0.71787974 0.00000000 H 4.52044475 -3.17947259 0.00000000 H 4.52044475 3.17947259 0.00000000 C 4.87131225 -1.11006337 0.00000000 C 4.87131225 1.11006337 0.00000000 C 5.29948753 -2.42966649 0.00000000 C 5.29948753 2.42966649 0.00000000 N 5.65561541 0.00000000 0.00000000 H 6.39726669 -5.10356325 0.00000000 H 6.39726669 5.10356325 0.00000000 C 6.61124147 -2.89159923 0.00000000 C 6.61124147 2.89159923 0.00000000 C 7.05528398 -4.25103467 0.00000000 C 7.05528398 4.25103467 0.00000000 N 7.73584565 -2.11519955 0.00000000 N 7.73584565 2.11519955 0.00000000 H 7.74886175 -1.10580132 0.00000000 H 7.74886175 1.10580132 0.00000000 C 8.42239241 -4.25076494 0.00000000 C 8.42239241 4.25076494 0.00000000 C 8.86504393 -2.89173199 0.00000000 C 8.86504393 2.89173199 0.00000000 H 9.07947451 -5.10429627 0.00000000 H 9.07947451 5.10429627 0.00000000 N 9.76211904 0.00000000 0.00000000 C 10.16826656 -2.41701954 0.00000000 C 10.16826656 2.41701954 0.00000000 C 10.58266488 -1.08330946 0.00000000 C 10.58266488 1.08330946 0.00000000 H 10.94514224 -3.16984607 0.00000000 H 10.94514224 3.16984607 0.00000000 C 11.97841099 -0.67594620 0.00000000 C 11.97841099 0.67594620 0.00000000 H 12.82461990 -1.34441500 0.00000000 H 12.82461990 1.34441500 0.00000000 END BASIS spherical * library cc-pvdz END SCF thresh 1.0e-8 tol2e 1.0e-8 singlet rhf maxiter 100 END TCE freeze atomic 2eorb 2emet 14 split 2 attilesize 40 ccsd tilesize 30 thresh 1.0d-3 nroots 1 maxiter 300 symmetry targetsym b1g END TASK TCE ENERGY