system
  Atoms
             Zn       3.4621843923       4.6805270214       9.7475682806 
             Br       5.0503687140       7.4458413232       8.0269448448 
              N       3.9089750448       4.9416344347       7.6166904990 
              N       2.7809721903       2.9628133874       8.9364538632 
              N       2.2145532969       2.0423011264       9.7717443815 
              N       1.2423920988       0.2104930570      11.8256911739 
              O       2.6799078556       3.6290978517      11.4414720233 
              C       4.4861774459       5.9470228800       6.9749180730 
              C       4.7151696850       5.9751509137       5.5969049474 
              H       5.1913754041       6.8349904290       5.1313658143 
              C       4.3123769630       4.8632973990       4.8648290673 
              H       4.4712384640       4.8354321538       3.7872905574 
              C       3.7102721144       3.7860197863       5.5181175608 
              H       3.3956944800       2.9081136580       4.9593613796 
              C       3.5165907685       3.8487473997       6.8989345565 
              C       2.8895112380       2.7477787167       7.6584573903 
              C       2.4385667826       1.5030149648       6.9713144282 
              H       2.0062244344       0.8097979127       7.6971787511 
              H       3.2870331168       1.0168352958       6.4680684727 
              H       1.6893263917       1.7363293824       6.2016322784 
              C       2.2233926017       2.5055339813      11.0275637261 
              C       1.6162198382       1.6510171079      12.1286042628 
              H       2.3291494172       1.6193046253      12.9605178974 
              H       0.7035916402       2.1447726361      12.4859550422 
              C       2.4452555134      -0.5716700797      11.3525247363 
              H       3.2239964019      -0.4951513189      12.1168646067 
              H       2.7822089097      -0.1410765445      10.4077485150 
              H       2.1389801013      -1.6130952879      11.2239453559 
              C       0.1299710286       0.1262177240      10.8058458022 
              H       0.4916166356       0.5623805870       9.8734066288 
              H      -0.7283913216       0.6844183872      11.1904984158 
              H      -0.1269215477      -0.9291432330      10.6800363705 
              C       0.7500053555      -0.3975899798      13.1176753870 
              H       0.4737779590      -1.4367447747      12.9198200173 
              H      -0.1195752690       0.1700403774      13.4602345742 
              H       1.5553210478      -0.3502199246      13.8558897245 
              O       2.3867475863       6.3340405023      10.1399956006 
              C       1.7046848680       6.8456482437       9.2232378963 
              N       1.0445765194       7.3488356903       8.3760156530 
              O       5.3170979075       4.9067681606      10.4823795335 
              C       5.5468607608       5.8558641751      11.2656881238 
              N       5.7939891648       6.7457308511      12.0103007871 
  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

