system
  Atoms
             Zn       0.0000000000       0.0000000000      -1.0993420066 
             Br      -2.3745892425       0.8074417452      -3.7262249202 
              N      -0.9985907132      -1.3142005432      -2.5654784812 
              N       0.8080916109      -1.8406688844      -0.7152850969 
              N       1.7367498163      -1.9676738384       0.2743556405 
              N       3.6019146396      -1.9875546105       2.5048782575 
              O       1.6107894909       0.3727955683       0.4010544826 
              C      -1.8835192900      -1.0352478494      -3.5090057695 
              C      -2.4794520780      -1.9813896132      -4.3466364219 
              H      -3.1991051527      -1.6797714353      -5.1042346895 
              C      -2.1103237347      -3.3100871653      -4.1615834880 
              H      -2.5472059480      -4.0885420971      -4.7864320583 
              C      -1.1806018893      -3.6358711079      -3.1735457555 
              H      -0.8816545994      -4.6694946627      -3.0173212023 
              C      -0.6340805217      -2.6182844100      -2.3866304340 
              C       0.3631288212      -2.8928301099      -1.3394420634 
              C       0.8068568516      -4.2914881942      -1.0586612004 
              H       1.2837547529      -4.7328438495      -1.9462509240 
              H      -0.0535871847      -4.9246468152      -0.7991963752 
              H       1.5195711813      -4.2978742619      -0.2302178975 
              C       2.0570072870      -0.7629488789       0.7676424587 
              C       3.0774003166      -0.6964850636       1.8965895207 
              H       3.9539215088      -0.1429381234       1.5374232671 
              H       2.6332367166      -0.1234396770       2.7193744413 
              C       4.3642074170      -2.8075784173       1.4898053380 
              H       4.7516877991      -3.6940409469       1.9995873460 
              H       5.1876644187      -2.1973637957       1.1078973957 
              H       3.6744694293      -3.0776804339       0.6884985192 
              C       2.4795340974      -2.8064175539       3.0990281784 
              H       1.8075313555      -3.0987532645       2.2900417243 
              H       1.9589730318      -2.1878593917       3.8359405693 
              H       2.9231588098      -3.6815035302       3.5822002382 
              C       4.5504154720      -1.6001680679       3.6142828563 
              H       4.9445490020      -2.5178662884       4.0594420926 
              H       3.9987044834      -1.0209300482       4.3599399870 
              H       5.3616655789      -1.0036735249       3.1878356127 
             Br       2.3745892425      -0.8074417452      -3.7262249202 
              N       0.9985907132       1.3142005432      -2.5654784812 
              N      -0.8080916109       1.8406688844      -0.7152850969 
              N      -1.7367498163       1.9676738384       0.2743556405 
              N      -3.6019146396       1.9875546105       2.5048782575 
              O      -1.6107894909      -0.3727955683       0.4010544826 
              C       1.8835192900       1.0352478494      -3.5090057695 
              C       2.4794520780       1.9813896132      -4.3466364219 
              H       3.1991051527       1.6797714353      -5.1042346895 
              C       2.1103237347       3.3100871653      -4.1615834880 
              H       2.5472059480       4.0885420971      -4.7864320583 
              C       1.1806018893       3.6358711079      -3.1735457555 
              H       0.8816545994       4.6694946627      -3.0173212023 
              C       0.6340805217       2.6182844100      -2.3866304340 
              C      -0.3631288212       2.8928301099      -1.3394420634 
              C      -0.8068568516       4.2914881942      -1.0586612004 
              H      -1.2837547529       4.7328438495      -1.9462509240 
              H       0.0535871847       4.9246468152      -0.7991963752 
              H      -1.5195711813       4.2978742619      -0.2302178975 
              C      -2.0570072870       0.7629488789       0.7676424587 
              C      -3.0774003166       0.6964850636       1.8965895207 
              H      -3.9539215088       0.1429381234       1.5374232671 
              H      -2.6332367166       0.1234396770       2.7193744413 
              C      -4.3642074170       2.8075784173       1.4898053380 
              H      -4.7516877991       3.6940409469       1.9995873460 
              H      -5.1876644187       2.1973637957       1.1078973957 
              H      -3.6744694293       3.0776804339       0.6884985192 
              C      -2.4795340974       2.8064175539       3.0990281784 
              H      -1.8075313555       3.0987532645       2.2900417243 
              H      -1.9589730318       2.1878593917       3.8359405693 
              H      -2.9231588098       3.6815035302       3.5822002382 
              C      -4.5504154720       1.6001680679       3.6142828563 
              H      -4.9445490020       2.5178662884       4.0594420926 
              H      -3.9987044834       1.0209300482       4.3599399870 
              H      -5.3616655789       1.0036735249       3.1878356127 
  End
  Charge 2.0
End

task SinglePoint

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

