! 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   1.8833735093  -0.6854885633   2.6520237150
Cl  -6.8651052131   2.5284048753  -2.2809492551
O    3.1474982685   0.7526222079  -1.4295905339
O    3.7191970229   0.3491956405   0.6773695508
O   -2.6765655330  -0.2065680558   0.7601886516
N    3.2317803022  -2.4992407389   0.2289327175
N    2.1101363095  -3.2124368788   0.3551047982
N    3.5856147939  -3.7850451843   1.9389644683
C    2.9082758895  -0.1103889003  -0.3517858655
C    3.5744223780   2.0186931507  -0.9175084233
C    3.3852658346  -1.4976089242  -0.7916613722
C    3.6785152099   1.7606435780   0.5912644108
C    1.4207597177  -0.1005912771   0.0063650134
C    4.8821399130   2.4098364003  -1.5676845129
C    0.8929399951  -0.3508845930   1.2720239910
C    0.5029727453   0.1147313958  -1.0199156910
C   -0.4735776713  -0.3490569965   1.5050857898
C   -0.8660330664   0.0977140149  -0.8218655290
C   -1.3530354058  -0.1294345492   0.4571917739
C    4.1002113928  -2.8473000756   1.1829655818
C    2.3668096465  -3.9676059844   1.3919308808
C   -3.6063613104   0.4526731872   0.0033674013
C   -3.4954049425   1.8092093560  -0.2725887209
C   -4.7123522132  -0.2661569409  -0.4226007675
C   -4.4986928809   2.4471272290  -0.9838242845
C   -5.7228123537   0.3737206445  -1.1235317243
C   -5.6064986072   1.7256748235  -1.4029327535
H    2.8094266771   2.7708214756  -1.1303246543
H    4.4401511290  -1.4364902469  -1.0614145292
H    2.8294180567  -1.8184460638  -1.6715628377
H    4.5883381935   2.1626880920   1.0372531269
H    2.8193433994   2.1691957732   1.1340355377
H    5.6785879162   1.7067695783  -1.3159924176
H    4.7885340506   2.4491585559  -2.6536983208
H    5.1863450699   3.4008570794  -1.2286770017
H    0.8662782967   0.2963745663  -2.0221100193
H   -0.8596330527  -0.5300693803   2.4995862591
H   -1.5281977959   0.2541725556  -1.6629039728
H    5.0784681660  -2.4030122329   1.2779437966
H    1.6502334148  -4.6832598233   1.7644141029
H   -2.6395332582   2.3789219469   0.0668801399
H   -4.7925579385  -1.3223786550  -0.2000689876
H   -4.4147983482   3.5037907510  -1.1988367624
H   -6.5884745122  -0.1864515380  -1.4502933991
*