! 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   0.0416024312   0.1066471761   2.0727411450
Cl  -4.5872612969  -2.0878600813   0.5622682382
O    3.2589645137  -0.8384824994  -0.3074377316
N    1.9990323686  -1.2250501127   0.0216365932
N    2.5729367484   3.5233119292  -0.4242584948
C    1.3370762759   0.2631944060  -1.8434058519
C    1.1041193076  -0.7133258355  -0.7191555216
C   -0.2944829259  -1.0490518227  -0.3682370633
C    1.3278749360   1.6579489141  -1.2746991798
C   -0.8616415100  -0.7360525568   0.8664917812
C   -1.1063547394  -1.6740354487  -1.3124428767
C    0.1398418620   2.3109194054  -0.9674460726
C    2.5150773541   2.3202692766  -0.9792431591
C   -2.1803958328  -1.0520493940   1.1600253045
C   -2.4217514613  -2.0057280275  -1.0434483988
C   -2.9451599679  -1.6911371782   0.2001593551
C    0.1887383538   3.5645673331  -0.3814556476
C    1.4292961341   4.1267167934  -0.1255221950
C    4.1892647422  -1.3930394356   0.6031111350
H    2.2805944618   0.0622098767  -2.3502485999
H    0.5442696481   0.1598547827  -2.5856411246
H   -0.6957103569  -1.9199111124  -2.2836116200
H   -0.8155456099   1.8492125699  -1.1872301717
H    3.4656338962   1.8524212396  -1.2130342889
H   -2.6017757878  -0.7967338927   2.1223642052
H   -3.0240383783  -2.5003754746  -1.7925271257
H   -0.7165191533   4.0993036427  -0.1281197226
H    1.5021979867   5.1054582407   0.3354429016
H    4.1710497922  -2.4852699619   0.5892381194
H    4.0126464267  -1.0448362011   1.6233213133
H    5.1712136882  -1.0522767923   0.2794170649
*