&SEWARD Basis set U.ANO-RCC-VTZP.... U1 -1.208579 -0.001723 0.002331 /angstrom End of basis Basis set C.ANO-RCC-VTZP.... C1 1.338469 -1.159332 -0.806195 /angstrom C2 1.317639 -1.278742 0.600708 /angstrom C3 1.343087 -0.120978 1.403321 /angstrom C4 1.320260 1.157102 0.803432 /angstrom C5 1.340958 1.273147 -0.600659 /angstrom C6 1.316039 0.114649 -1.407747 /angstrom End of basis Basis set C.ANO-RCC-VDZP.... C7 1.479678 -2.398006 -1.646274 /angstrom C8 1.322915 -2.643006 1.231606 /angstrom C9 1.489182 -0.230739 2.895496 /angstrom C10 1.327845 2.385946 1.669084 /angstrom C11 1.484061 2.620584 -1.251824 /angstrom C12 1.319164 0.250426 -2.904832 /angstrom End of basis Basis set B.ANO-RCC-VTZP.... B1 -2.128410 -0.071247 2.353502 /angstrom B2 -2.131969 -2.002069 -1.231321 /angstrom B3 -2.131915 2.068405 -1.111130 /angstrom End of basis Basis set H.ANO-RCC-MB.... H1 2.194657 -3.084383 -1.190354 /angstrom H2 0.531656 -2.931048 -1.753632 /angstrom H3 1.844225 -2.164659 -2.643686 /angstrom H4 2.339968 0.221431 -3.302880 /angstrom H5 0.755107 -0.550914 -3.379182 /angstrom H6 0.868498 1.189514 -3.218990 /angstrom H7 2.184826 2.565768 -2.085868 /angstrom H8 0.532690 2.990387 -1.642516 /angstrom H9 1.867161 3.361587 -0.554259 /angstrom H10 2.349995 2.741418 1.843088 /angstrom H11 0.767058 3.199441 1.211806 /angstrom H12 0.876253 2.190339 2.639367 /angstrom H13 2.193178 0.516929 3.263086 /angstrom H14 0.539441 -0.073925 3.413080 /angstrom H15 1.869734 -1.206495 3.188047 /angstrom H16 2.344745 -2.974270 1.449524 /angstrom H17 0.764497 -2.652476 2.166163 /angstrom H18 0.867830 -3.384057 0.577793 /angstrom H19 -1.423695 -1.269542 -1.951830 /angstrom H20 -3.014857 -1.264221 -0.761727 /angstrom H21 -2.566125 -2.950975 -1.817186 /angstrom H22 -1.405318 -2.317613 -0.267027 /angstrom H23 -1.402981 0.922768 2.143245 /angstrom H24 -3.012548 -0.034418 1.481071 /angstrom H25 -1.419131 -1.060828 2.078353 /angstrom H26 -2.560169 -0.104001 3.469096 /angstrom H27 -1.403718 1.392426 -1.866670 /angstrom H28 -2.565575 3.050680 -1.639538 /angstrom H29 -3.014862 1.291661 -0.709624 /angstrom H30 -1.425032 2.325189 -0.115238 /angstrom End of basis cholesky &RASSCF FILEorb=/home/vlaisavljevich_lab/shared/sabyasachi/U-comp/Goodwin_comp/hexamethyl/pbe0/interpolation/neutral_anion_hs/str-1/pt2_10e18o_1T.RasOrb; TYPEIndex spin=3; symmetry=1; charge=-1; nactel=10 0 0; ras2=18; ciroot=1 1 1; lumorb >>COPY $Project.JobIph $CurrDir/$Project.JobIph5 &GRID_IT &END sparse all name=grid fileorb=$CurrDir/$Project.RasOrb &CASPT2 imaginary=0.2 xmul=all; maxiter=1000 >>COPY $Project.JobMix $CurrDir/$Project.JobMix5