system
  Atoms
             Zn       3.3086334265       4.8270182437       9.8776967179 
             Br       4.9845089746       7.5214986962       7.8856223305 
              N       3.9255664440       4.9533809202       7.6317390086 
              N       2.8284983216       2.9997710447       9.0539034876 
              N       2.3017931162       2.0358684894       9.8724897001 
              N       1.2101381971       0.1358547828      11.7818538442 
              O       2.4660107735       3.6552190548      11.5610250306 
              C       4.4518524267       5.9375920216       6.9271502044 
              C       4.6591431028       5.9133789007       5.5447015346 
              H       5.0974504675       6.7660656565       5.0310094596 
              C       4.2816197051       4.7549140099       4.8725468639 
              H       4.4198436909       4.6808523799       3.7941823763 
              C       3.7305757346       3.6925111342       5.5896497363 
              H       3.4341026487       2.7794236560       5.0792245008 
              C       3.5608612494       3.8180413819       6.9727400227 
              C       2.9813880985       2.7362665701       7.7858945619 
              C       2.6053854299       1.4370257426       7.1484815766 
              H       2.2153127296       0.7474980384       7.9005237023 
              H       3.4776461192       0.9825575306       6.6571326313 
              H       1.8393755788       1.5953091489       6.3757024288 
              C       2.1743143119       2.4931297623      11.1215440369 
              C       1.6177089313       1.5471432986      12.1794493061 
              H       2.3682108916       1.4410486722      12.9723918603 
              H       0.7272917173       2.0133290261      12.6191895958 
              C       2.3862136737      -0.6509728195      11.2515172571 
              H       3.1672685808      -0.6552630567      12.0176310483 
              H       2.7373476917      -0.1635516082      10.3405298382 
              H       2.0438594792      -1.6702427511      11.0525610698 
              C       0.0934351147       0.1539951519      10.7638827458 
              H       0.4648896656       0.6420702318       9.8612636422 
              H      -0.7476359163       0.7087883096      11.1898916958 
              H      -0.1955637008      -0.8819156472      10.5661898359 
              C       0.7048712557      -0.5479135915      13.0300237231 
              H       0.4035404996      -1.5643031649      12.7614468511 
              H      -0.1504762803       0.0141190848      13.4147847685 
              H       1.5126889091      -0.5720074260      13.7667313245 
              N       1.9593996080       6.2369250381       9.8359322565 
              C       1.6129081528       7.2451334871       9.2862104897 
              O       1.2164437802       8.2654263943       8.7644723054 
              N       5.0434329854       5.1657094358      10.7089374839 
              C       5.7371157681       6.0980323243      11.0127203676 
              O       6.4744946456       7.0023934448      11.3391157785 
  End
End

task SinglePoint

Engine ADF
  basis
    core none
    type TZP
  End
  solvation
    solv name=water
  End
  title Zn
  xc
    libxc CAM-B3LYP
  End
EndEngine

