Wavefunction = 1 Energy (eV) = -23.922181 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 1 1 2s 0.263223 0.000000 0.069286 1 C 2 2 2s 0.192843 0.000000 0.037188 2 C 14 1 2s 0.263223 0.000000 0.069287 2 C 15 2 2s 0.192842 0.000000 0.037188 ----------------------------------------------------------------------- Wavefunction = 2 Energy (eV) = -12.177210 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 4 4 2pz -0.286795 -0.000000 0.082251 1 C 7 7 2pz -0.215922 -0.000000 0.046622 2 C 17 4 2pz -0.286796 0.000000 0.082252 2 C 20 7 2pz -0.215922 -0.000000 0.046622 ----------------------------------------------------------------------- Wavefunction = 3 Energy (eV) = -7.828561 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 3 3 2py 0.365894 0.000000 0.133879 1 C 5 5 2px 0.629793 0.000000 0.396639 1 C 8 8 2px 0.038009 0.000000 0.001445 1 C 9 9 2Pdxy 0.039078 0.000000 0.001527 1 C 13 13 2Pdx2-y2 -0.067262 0.000000 0.004524 2 C 16 3 2py -0.365894 -0.000000 0.133878 2 C 18 5 2px -0.629793 0.000000 0.396639 2 C 21 8 2px -0.038009 0.000000 0.001445 2 C 22 9 2Pdxy 0.039078 0.000000 0.001527 2 C 26 13 2Pdx2-y2 -0.067262 0.000000 0.004524 ----------------------------------------------------------------------- Wavefunction = 4 Energy (eV) = -7.828039 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 3 3 2py 0.629662 0.000000 0.396474 1 C 5 5 2px -0.365818 0.000000 0.133823 1 C 6 6 2py 0.038103 0.000000 0.001452 1 C 9 9 2Pdxy 0.067274 0.000000 0.004526 1 C 13 13 2Pdx2-y2 0.039085 0.000000 0.001528 2 C 16 3 2py -0.629661 -0.000000 0.396473 2 C 18 5 2px 0.365818 0.000000 0.133823 2 C 19 6 2py -0.038104 0.000000 0.001452 2 C 22 9 2Pdxy 0.067274 0.000000 0.004526 2 C 26 13 2Pdx2-y2 0.039085 0.000000 0.001528 ----------------------------------------------------------------------- Wavefunction = 5 Energy (eV) = 2.484563 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 1 1 2s 0.919615 0.000000 0.845691 1 C 2 2 2s -0.850123 0.000000 0.722710 1 C 11 11 2Pdz2 0.349119 0.000000 0.121884 2 C 14 1 2s 0.919614 0.000000 0.845690 2 C 15 2 2s -0.850123 -0.000000 0.722709 2 C 24 11 2Pdz2 0.349119 0.000000 0.121884 ----------------------------------------------------------------------- Wavefunction = 6 Energy (eV) = 3.604682 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 3 3 2py 0.394538 0.000000 0.155660 1 C 5 5 2px 0.685800 0.000000 0.470322 1 C 6 6 2py 0.034321 0.000000 0.001178 1 C 8 8 2px 0.059660 0.000000 0.003559 1 C 9 9 2Pdxy -0.138025 -0.000000 0.019051 1 C 13 13 2Pdx2-y2 0.239920 0.000000 0.057562 2 C 16 3 2py 0.394538 0.000000 0.155660 2 C 18 5 2px 0.685800 0.000000 0.470322 2 C 19 6 2py 0.034321 0.000000 0.001178 2 C 21 8 2px 0.059660 0.000000 0.003559 2 C 22 9 2Pdxy 0.138024 0.000000 0.019051 2 C 26 13 2Pdx2-y2 -0.239920 0.000000 0.057561 ----------------------------------------------------------------------- Wavefunction = 7 Energy (eV) = 3.605330 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 3 3 2py 0.685875 0.000000 0.470425 1 C 5 5 2px -0.394580 0.000000 0.155693 1 C 6 6 2py 0.059576 0.000000 0.003549 1 C 8 8 2px -0.034274 -0.000000 0.001175 1 C 9 9 2Pdxy -0.239946 -0.000000 0.057574 1 C 13 13 2Pdx2-y2 -0.138040 0.000000 0.019055 2 C 16 3 2py 0.685876 0.000000 0.470426 2 C 18 5 2px -0.394580 -0.000000 0.155693 2 C 19 6 2py 0.059576 0.000000 0.003549 2 C 21 8 2px -0.034274 -0.000000 0.001175 2 C 22 9 2Pdxy 0.239946 0.000000 0.057574 2 C 26 13 2Pdx2-y2 0.138040 0.000000 0.019055 ----------------------------------------------------------------------- Wavefunction = 8 Energy (eV) = 6.308671 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 4 4 2pz 0.878097 0.000000 0.771055 1 C 7 7 2pz -1.263026 -0.000000 1.595234 2 C 17 4 2pz 0.878097 0.000000 0.771054 2 C 20 7 2pz -1.263024 -0.000000 1.595231 ----------------------------------------------------------------------- Wavefunction = 9 Energy (eV) = 6.671884 ----------------------------------------------------------------------- Atom Species Orb-global Orb-in-atom Orb-type Re(psi) Im(psi) |psi|^2 1 C 4 4 2pz -0.434729 -0.000000 0.188989 1 C 7 7 2pz -0.563797 0.000000 0.317867 2 C 17 4 2pz 0.434728 0.000000 0.188988 2 C 20 7 2pz 0.563798 0.000000 0.317868 -----------------------------------------------------------------------