$comment SF-CIS(D) $end $molecule 0 3 C 0.000000 1.017702 0.000000 C 1.017702 -0.000000 0.000000 C -1.017702 0.000000 0.000000 C -0.000000 -1.017702 0.000000 H 0.000000 2.092429 0.000000 H 2.092429 -0.000000 0.000000 H -0.000000 -2.092429 0.000000 H -2.092429 0.000000 0.000000 $end $rem JOBTYPE = sp METHOD = CIS(D) BASIS = 6-31+G* SCF_CONVERGENCE = 9 THRESH = 12 PURECART = 1111 SPIN_FLIP = TRUE CIS_N_ROOTS = 8 UNRESTRICTED = TRUE RPA = FALSE MEM_TOTAL = 10000 MEM_STATIC = 5000 AO2MO_DISK = 4000 $end