! 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  -0.6913365357  -2.0653213727  -2.1896183506
Cl  -4.4529701932  -1.8060655621   1.6148538573
O    3.2393903307  -0.4459470078   0.0714536396
N    2.0178105843  -0.8909087586   0.4561783047
N    2.8736048914   3.7455745351  -0.3520925425
C    1.2335827191   0.5200933803  -1.4125982948
C    1.0707736931  -0.4514452134  -0.2700669823
C   -0.2869549984  -0.8271673688   0.1824378076
C    1.4130570383   1.9128639581  -0.8654514781
C   -1.1874697668  -1.5175019651  -0.6249200427
C   -0.7093456654  -0.4704849032   1.4608514999
C    0.3390195932   2.6247035966  -0.3422844606
C    2.6583410238   2.5326009506  -0.8437361023
C   -2.4688835521  -1.8252549512  -0.1995773299
C   -1.9826408125  -0.7672782049   1.9158869728
C   -2.8539962651  -1.4368607669   1.0734158476
C    0.5533071139   3.8894750100   0.1795339044
C    1.8396869811   4.4047836869   0.1552939719
C    4.2413673330  -0.9621160411   0.9270065491
H    2.0839555112   0.2425947973  -2.0370623675
H    0.3501496844   0.4958669406  -2.0498833922
H   -0.0290091954   0.0626323698   2.1113251143
H   -0.6586133551   2.2018188691  -0.3485957280
H    3.5217367938   2.0212958943  -1.2556464751
H   -3.1474537492  -2.3660872398  -0.8443952763
H   -2.2855803714  -0.4734959495   2.9109974062
H   -0.2606780024   4.4693066414   0.5926771827
H    2.0401645211   5.3918972829   0.5565020364
H    5.1866704216  -0.5711940791   0.5554378881
H    4.2740230366  -2.0536452890   0.9017676456
H    4.1020121666  -0.6307626020   1.9585453530
*