! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl   0.0595106159   0.1261043437   2.0556566745
Cl  -4.5851685776  -2.0420807141   0.5537494943
O    3.2761035886  -0.8727238637  -0.3049476266
N    2.0121364301  -1.2497586366   0.0203306372
N    2.5275432683   3.5062265534  -0.3610491932
C    1.3624729248   0.2482895237  -1.8420592564
C    1.1224629777  -0.7307402466  -0.7214908889
C   -0.2797712527  -1.0539054704  -0.3728835423
C    1.3241665475   1.6410355427  -1.2697684245
C   -0.8486047725  -0.7210831282   0.8558682933
C   -1.0934211662  -1.6826853148  -1.3129490011
C    0.1221953932   2.2852033345  -1.0007706133
C    2.4963866150   2.3077310518  -0.9275524761
C   -2.1714046382  -1.0206461316   1.1478967979
C   -2.4130665187  -1.9986986678  -1.0450335953
C   -2.9383680785  -1.6635670473   0.1923732227
C    0.1431272072   3.5345211704  -0.4037646709
C    1.3705217883   4.1008943993  -0.0985282132
C    4.1995580581  -1.4307311930   0.6099657675
H    2.3175908873   0.0605965162  -2.3317758596
H    0.5841535610   0.1353886488  -2.5980910895
H   -0.6815238915  -1.9434612931  -2.2796327578
H   -0.8218159093   1.8192439189  -1.2574893492
H    3.4574132889   1.8458017144  -1.1282395807
H   -2.5940988242  -0.7503134089   2.1054948250
H   -3.0174034521  -2.4968760557  -1.7901255638
H   -0.7734621173   4.0627578323  -0.1791921524
H    1.4211737394   5.0766467409   0.3716539988
H    5.1838295809  -1.0927633233   0.2909752138
H    4.1783187730  -2.5228022228   0.5961763760
H    4.0197222351  -1.0820031948   1.6295158409
*