! 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  -0.6463708365  -2.1167885427  -2.1599238205
Cl  -4.4543433688  -1.7242031631   1.5852733297
O    3.2724097196  -0.4913193525   0.0923752401
N    2.0412088521  -0.9186991088   0.4717303136
N    2.8026527573   3.7462326845  -0.2680909518
C    1.2801314759   0.4925335552  -1.4102897865
C    1.1047497840  -0.4707221602  -0.2621076514
C   -0.2614332862  -0.8223539999   0.1849776102
C    1.4027967682   1.8935014905  -0.8694390133
C   -1.1573943173  -1.5248324473  -0.6168824951
C   -0.6973119276  -0.4263540546   1.4470389747
C    0.2859571252   2.5980707625  -0.4332508401
C    2.6370953020   2.5265223599  -0.7623072462
C   -2.4468680179  -1.8099882492  -0.2004678525
C   -1.9797427567  -0.6984112814   1.8918216525
C   -2.8454250014  -1.3840116680   1.0562472108
C    0.4481839102   3.8699988938   0.0901069326
C    1.7275573951   4.3990709698   0.1549749220
C    4.2612626427  -1.0296227044   0.9500218950
H    2.1574582755   0.2330045692  -2.0037318842
H    0.4188953476   0.4374968166  -2.0752995948
H   -0.0198220840   0.1179464052   2.0914029083
H   -0.7038293480   2.1637178773  -0.5099097280
H    3.5337623660   2.0214065874  -1.1047458904
H   -3.1216163630  -2.3621078208  -0.8397599178
H   -2.2949644591  -0.3744962319   2.8738210153
H   -0.4001011590   4.4445054959   0.4364254911
H    1.8893226381   5.3920581896   0.5591937861
H    5.2156589624  -0.6528857588   0.5866917778
H    4.2757348950  -2.1214073528   0.9177613754
H    4.1219167925  -0.7028666403   1.9830288738
*