%chk=000258815.chk %nprocshared=4 %mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000258815 0 1 Br -2.099847 0.146826 2.484456 Br 2.100917 -0.141908 2.484475 Br -6.528589 0.210327 -2.385183 Br 6.527297 -0.215398 -2.387147 O -1.178333 -1.354271 -1.189520 O 1.178525 1.354083 -1.191380 N -0.677989 0.194687 0.475021 N 0.677903 -0.192192 0.475528 C -2.995401 -0.114878 -0.207144 C 2.995342 0.115218 -0.207877 C -1.564684 -0.473300 -0.453184 C 1.564706 0.474014 -0.453893 C -3.420859 0.152547 1.105196 C 3.421266 -0.150415 1.104624 C -3.920809 -0.107482 -1.254833 C 3.920242 0.105689 -1.256044 C -5.260155 0.179519 -0.965608 C 5.259541 -0.181621 -0.967035 C -4.756826 0.421276 1.389307 C 4.757261 -0.419431 1.388513 C -5.686249 0.438247 0.339592 C 5.686138 -0.438548 0.338392 H -3.592375 -0.331651 -2.275848 H 3.591412 0.328492 -2.277230 H -0.757028 1.235883 0.503222 H 0.756913 -1.233349 0.505691 H -5.084786 0.618776 2.412216 H 5.085582 -0.615507 2.411582 H -6.737002 0.653408 0.551912 H 6.736886 -0.653942 0.550500 %chk=000258815-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000258815 0 1 Br -2.488525 2.814005 0.034860 Br 2.490903 -2.815201 0.039762 Br -6.715768 -2.417016 0.037152 Br 6.713940 2.419217 0.029690 O -1.428366 -1.894158 0.034461 O 1.427677 1.893272 0.029878 N -0.647505 0.257569 0.034234 N 0.647103 -0.258430 0.034535 C -3.114018 -0.135689 0.034935 C 3.113784 0.135335 0.033447 C -1.690198 -0.641183 0.034862 C 1.689751 0.640355 0.032666 C -3.617012 1.196060 0.035190 C 3.617766 -1.196106 0.036432 C -4.072770 -1.191894 0.035602 C 4.071834 1.192173 0.031579 C -5.447991 -0.926426 0.036355 C 5.447242 0.927715 0.032528 C -5.005365 1.456074 0.036031 C 5.006319 -1.455065 0.037487 C -5.935410 0.396611 0.036479 C 5.935608 -0.394955 0.035412 H -3.674290 -2.211026 0.035475 H 3.672638 2.211023 0.029353 H -0.699436 1.286058 0.034051 H 0.699025 -1.286917 0.036623 H -5.365508 2.488388 0.036316 H 5.367223 -2.487112 0.039916 H -7.008249 0.606404 0.036931 H 7.008596 -0.603982 0.036060